C52l

Structural Information

Molecular Formula

C₃₁₂H₄₆₆N₈₂O₉₄S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(=O)N)NC(=O)C

InChI

InChI=1S/C312H466N82O94S/c1-31-153(20)249(304(481)342-183(257(327)434)70-49-53-102-313)387-273(450)186(73-52-56-105-316)357-305(482)250(154(21)32-2)391-299(476)222(130-238(326)413)377-281(458)207(115-163-58-37-36-38-59-163)366-283(460)211(119-167-135-335-180-67-46-41-62-175(167)180)371-291(468)220(128-236(324)411)375-284(461)212(120-168-136-336-181-68-47-42-63-176(168)181)370-279(456)204(112-150(14)15)363-301(478)225(140-395)383-258(435)158(25)340-275(452)209(117-165-133-333-178-65-44-39-60-173(165)178)368-260(437)185(72-51-55-104-315)344-293(470)223(131-247(430)431)378-280(457)203(111-149(12)13)360-269(446)195(86-97-243(422)423)353-277(454)200(108-146(6)7)361-278(455)202(110-148(10)11)359-268(445)193(84-95-241(418)419)348-262(439)188(79-90-229(317)404)346-265(442)192(83-94-240(416)417)354-288(465)217(125-233(321)408)373-261(438)184(71-50-54-103-314)343-264(441)191(82-93-239(414)415)347-263(440)189(80-91-230(318)405)352-276(453)201(109-147(8)9)362-289(466)218(126-234(322)409)374-267(444)190(81-92-231(319)406)355-300(477)226(141-396)384-271(448)196(87-98-244(424)425)349-266(443)197(88-99-245(426)427)358-306(483)251(155(22)33-3)389-295(472)205(113-151(16)17)364-302(479)227(142-397)385-286(463)214(122-170-138-330-144-338-170)381-307(484)253(157(24)35-5)390-296(473)206(114-152(18)19)365-303(480)228(143-398)386-310(487)254(159(26)399)392-297(474)208(116-164-75-77-172(403)78-76-164)367-290(467)219(127-235(323)410)376-292(469)221(129-237(325)412)382-308(485)252(156(23)34-4)388-274(451)198(89-100-246(428)429)351-259(436)187(74-57-106-332-312(328)329)345-294(471)224(132-248(432)433)379-285(462)210(118-166-134-334-179-66-45-40-61-174(166)179)369-270(447)194(85-96-242(420)421)350-272(449)199(101-107-489-30)356-282(459)213(121-169-137-337-182-69-48-43-64-177(169)182)380-309(486)255(160(27)400)394-311(488)256(161(28)401)393-298(475)215(123-171-139-331-145-339-171)372-287(464)216(124-232(320)407)341-162(29)402/h36-48,58-69,75-78,133-139,144-161,183-228,249-256,333-337,395-401,403H,31-35,49-57,70-74,79-132,140-143,313-316H2,1-30H3,(H2,317,404)(H2,318,405)(H2,319,406)(H2,320,407)(H2,321,408)(H2,322,409)(H2,323,410)(H2,324,411)(H2,325,412)(H2,326,413)(H2,327,434)(H,330,338)(H,331,339)(H,340,452)(H,341,402)(H,342,481)(H,343,441)(H,344,470)(H,345,471)(H,346,442)(H,347,440)(H,348,439)(H,349,443)(H,350,449)(H,351,436)(H,352,453)(H,353,454)(H,354,465)(H,355,477)(H,356,459)(H,357,482)(H,358,483)(H,359,445)(H,360,446)(H,361,455)(H,362,466)(H,363,478)(H,364,479)(H,365,480)(H,366,460)(H,367,467)(H,368,437)(H,369,447)(H,370,456)(H,371,468)(H,372,464)(H,373,438)(H,374,444)(H,375,461)(H,376,469)(H,377,458)(H,378,457)(H,379,462)(H,380,486)(H,381,484)(H,382,485)(H,383,435)(H,384,448)(H,385,463)(H,386,487)(H,387,450)(H,388,451)(H,389,472)(H,390,473)(H,391,476)(H,392,474)(H,393,475)(H,394,488)(H,414,415)(H,416,417)(H,418,419)(H,420,421)(H,422,423)(H,424,425)(H,426,427)(H,428,429)(H,430,431)(H,432,433)(H4,328,329,332)/t153-,154-,155-,156-,157-,158-,159+,160+,161+,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-,225-,226-,227-,228-,249-,250-,251-,252-,253-,254-,255-,256-/m0/s1

InChIKey

BGANARPPGFGFNE-RQWHACTHSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-acetamido-4-amino-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16729323