Mtweewdkkieeytkkiee

Structural Information

Molecular Formula

C₁₁₄H₁₇₁N₂₅O₃₇S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C114H171N25O37S/c1-8-58(3)92(110(171)129-78(37-43-88(149)150)100(161)126-76(35-41-86(145)146)102(163)132-81(52-62-30-32-65(142)33-31-62)109(170)139-95(61(6)141)112(173)128-72(27-15-19-48-116)98(159)123-74(29-17-21-50-118)105(166)137-93(59(4)9-2)111(172)130-79(38-44-89(151)152)101(162)131-80(114(175)176)39-45-90(153)154)136-104(165)73(28-16-20-49-117)122-97(158)71(26-14-18-47-115)124-108(169)84(55-91(155)156)134-107(168)82(53-63-56-120-69-24-12-10-22-66(63)69)133-103(164)77(36-42-87(147)148)125-99(160)75(34-40-85(143)144)127-106(167)83(54-64-57-121-70-25-13-11-23-67(64)70)135-113(174)94(60(5)140)138-96(157)68(119)46-51-177-7/h10-13,22-25,30-33,56-61,68,71-84,92-95,120-121,140-142H,8-9,14-21,26-29,34-55,115-119H2,1-7H3,(H,122,158)(H,123,159)(H,124,169)(H,125,160)(H,126,161)(H,127,167)(H,128,173)(H,129,171)(H,130,172)(H,131,162)(H,132,163)(H,133,164)(H,134,168)(H,135,174)(H,136,165)(H,137,166)(H,138,157)(H,139,170)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,175,176)/t58-,59-,60+,61+,68-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-,94-,95-/m0/s1

InChIKey

LLKJFRPNRLOLPV-KSKSYNIMSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

Related CIDs

• CID 71597426