Naja melanoleuca toxin v(sup ii) 2

Structural Information

Molecular Formula

C₃₀₂H₄₈₆N₈₂O₈₃S₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC9=CC=C(C=C9)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)N

InChI

InChI=1S/C302H486N82O83S8/c1-30-156(19)233(319)286(451)341-183(75-46-55-105-308)254(419)364-211(140-469)278(443)348-199(126-173-133-322-147-327-173)265(430)351-203(130-226(316)401)272(437)378-239(162(25)389)291(456)355-192(117-151(9)10)260(425)359-205(119-153(13)14)297(462)381-110-61-83-221(381)285(450)353-198(121-168-66-37-33-38-67-168)271(436)374-236(157(20)31-2)289(454)356-195(122-170-84-90-174(394)91-85-170)263(428)337-186(78-49-58-108-311)257(422)376-241(164(27)391)295(460)370-217(146-475)300(465)384-113-63-82-220(384)284(449)340-187(97-99-232(407)408)248(413)325-134-229(404)330-188(96-98-222(312)397)255(420)349-201(128-224(314)399)268(433)343-190(115-149(5)6)261(426)366-212(141-470)277(442)347-194(120-167-64-35-32-36-65-167)262(427)332-177(70-41-50-100-303)246(411)326-136-231(406)371-237(160(23)387)290(455)354-191(116-150(7)8)258(423)335-179(71-42-51-101-304)251(416)360-206(125-169-68-39-34-40-69-169)298(463)382-111-60-80-218(382)282(447)338-181(73-44-53-103-306)249(414)334-185(77-48-57-107-310)256(421)377-243(166(29)393)296(461)380-242(165(28)392)293(458)357-196(123-171-86-92-175(395)93-87-171)264(429)350-200(127-223(313)398)266(431)333-178(79-59-109-323-302(320)321)247(412)324-135-230(405)331-210(139-468)276(441)329-158(21)244(409)328-159(22)245(410)375-238(161(24)388)294(459)369-216(145-474)299(464)383-112-62-81-219(383)283(448)339-182(74-45-54-104-307)252(417)362-209(138-386)275(440)363-208(137-385)274(439)345-189(114-148(3)4)259(424)344-193(118-152(11)12)269(434)372-234(154(15)16)287(452)342-184(76-47-56-106-309)250(415)346-197(124-172-88-94-176(396)95-89-172)270(435)373-235(155(17)18)288(453)368-215(144-473)281(446)367-213(142-471)279(444)352-204(131-227(317)402)273(438)379-240(163(26)390)292(457)358-202(129-225(315)400)267(432)336-180(72-43-52-102-305)253(418)365-214(143-472)280(445)361-207(301(466)467)132-228(318)403/h32-40,64-69,84-95,133,147-166,177-221,233-243,385-396,468-475H,30-31,41-63,70-83,96-132,134-146,303-311,319H2,1-29H3,(H2,312,397)(H2,313,398)(H2,314,399)(H2,315,400)(H2,316,401)(H2,317,402)(H2,318,403)(H,322,327)(H,324,412)(H,325,413)(H,326,411)(H,328,409)(H,329,441)(H,330,404)(H,331,405)(H,332,427)(H,333,431)(H,334,414)(H,335,423)(H,336,432)(H,337,428)(H,338,447)(H,339,448)(H,340,449)(H,341,451)(H,342,452)(H,343,433)(H,344,424)(H,345,439)(H,346,415)(H,347,442)(H,348,443)(H,349,420)(H,350,429)(H,351,430)(H,352,444)(H,353,450)(H,354,455)(H,355,456)(H,356,454)(H,357,458)(H,358,457)(H,359,425)(H,360,416)(H,361,445)(H,362,417)(H,363,440)(H,364,419)(H,365,418)(H,366,426)(H,367,446)(H,368,453)(H,369,459)(H,370,460)(H,371,406)(H,372,434)(H,373,435)(H,374,436)(H,375,410)(H,376,422)(H,377,421)(H,378,437)(H,379,438)(H,380,461)(H,407,408)(H,466,467)(H4,320,321,323)/t156-,157-,158-,159-,160+,161+,162+,163+,164+,165+,166+,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,233-,234-,235-,236-,237-,238-,239-,240-,241-,242-,243-/m0/s1

InChIKey

JTDZJJWSEPYOCS-SJYZFHMCSA-N

Compound name

(4S)-5-[[2-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2R)-1-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2R)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-[[(2S)-1-[(2R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 85470771