Naja melanoleuca toxin v(sup ii) 3

Structural Information

Molecular Formula

C₃₀₄H₄₉₂N₈₂O₈₂S₈

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](CCCCN)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/C304H492N82O82S8/c1-30-159(19)235(321)288(452)344-187(78-47-57-109-311)257(421)366-214(143-470)280(444)351-203(130-176-136-324-150-329-176)268(432)353-206(133-228(318)402)274(438)380-241(165(25)391)293(457)357-196(121-154(9)10)263(427)361-208(123-156(13)14)299(463)383-114-63-86-224(383)287(451)355-202(125-171-68-37-33-38-69-171)273(437)376-238(160(20)31-2)291(455)358-199(126-173-87-93-177(396)94-88-173)266(430)340-190(81-50-60-112-314)260(424)378-243(167(27)393)297(461)372-220(149-476)302(466)386-117-65-85-223(386)286(450)343-191(100-102-234(408)409)250(414)327-137-231(405)332-192(99-101-225(315)399)258(422)352-204(131-226(316)400)270(434)346-194(119-152(5)6)264(428)368-215(144-471)279(443)350-198(124-170-66-35-32-36-67-170)265(429)335-180(72-41-51-103-305)248(412)328-139-233(407)373-239(163(23)389)292(456)356-195(120-153(7)8)261(425)337-183(74-43-53-105-307)254(418)362-209(129-172-70-39-34-40-71-172)300(464)384-115-62-83-221(384)284(448)341-185(76-45-55-107-309)252(416)336-189(80-49-59-111-313)259(423)379-245(169(29)395)298(462)382-244(168(28)394)295(459)359-200(127-174-89-95-178(397)96-90-174)267(431)338-182(73-42-52-104-306)251(415)334-181(82-61-113-325-304(322)323)249(413)326-138-232(406)333-213(142-469)278(442)331-161(21)246(410)330-162(22)247(411)377-240(164(24)390)296(460)371-219(148-475)301(465)385-116-64-84-222(385)285(449)342-186(77-46-56-108-310)255(419)364-212(141-388)277(441)365-211(140-387)276(440)348-193(118-151(3)4)262(426)347-197(122-155(11)12)271(435)374-236(157(15)16)289(453)345-188(79-48-58-110-312)253(417)349-201(128-175-91-97-179(398)98-92-175)272(436)375-237(158(17)18)290(454)370-218(147-474)283(447)369-216(145-472)281(445)354-207(134-229(319)403)275(439)381-242(166(26)392)294(458)360-205(132-227(317)401)269(433)339-184(75-44-54-106-308)256(420)367-217(146-473)282(446)363-210(303(467)468)135-230(320)404/h32-40,66-71,87-98,136,150-169,180-224,235-245,387-398,469-476H,30-31,41-65,72-86,99-135,137-149,305-314,321H2,1-29H3,(H2,315,399)(H2,316,400)(H2,317,401)(H2,318,402)(H2,319,403)(H2,320,404)(H,324,329)(H,326,413)(H,327,414)(H,328,412)(H,330,410)(H,331,442)(H,332,405)(H,333,406)(H,334,415)(H,335,429)(H,336,416)(H,337,425)(H,338,431)(H,339,433)(H,340,430)(H,341,448)(H,342,449)(H,343,450)(H,344,452)(H,345,453)(H,346,434)(H,347,426)(H,348,440)(H,349,417)(H,350,443)(H,351,444)(H,352,422)(H,353,432)(H,354,445)(H,355,451)(H,356,456)(H,357,457)(H,358,455)(H,359,459)(H,360,458)(H,361,427)(H,362,418)(H,363,446)(H,364,419)(H,365,441)(H,366,421)(H,367,420)(H,368,428)(H,369,447)(H,370,454)(H,371,460)(H,372,461)(H,373,407)(H,374,435)(H,375,436)(H,376,437)(H,377,411)(H,378,424)(H,379,423)(H,380,438)(H,381,439)(H,382,462)(H,408,409)(H,467,468)(H4,322,323,325)/t159-,160-,161-,162-,163+,164+,165+,166+,167+,168+,169+,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-,222-,223-,224-,235-,236-,237-,238-,239-,240-,241-,242-,243-,244-,245-/m0/s1

InChIKey

UERZLIHACSEORN-LALLAMRESA-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)-6-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-oxohexan-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 85470770