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Structural Information

Molecular Formula

C₁₁₁H₁₇₈N₂₆O₄₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C111H178N26O45S/c1-12-53(9)87(108(178)123-59(21-15-18-40-113)91(161)126-67(42-50(3)4)98(168)127-69(44-75(115)141)99(169)125-66(111(181)182)22-16-19-41-114)135-97(167)65(32-38-81(152)153)121-101(171)71(46-83(156)157)129-104(174)73(48-138)132-102(172)72(47-84(158)159)131-110(180)89(55(11)139)137-103(173)68(43-56-23-25-57(140)26-24-56)130-109(179)88(54(10)13-2)136-105(175)74(49-183)133-95(165)63(30-36-79(148)149)124-107(177)86(52(7)8)134-96(166)64(31-37-80(150)151)120-100(170)70(45-82(154)155)128-94(164)61(28-34-77(144)145)118-90(160)58(20-14-17-39-112)117-92(162)60(27-33-76(142)143)119-93(163)62(29-35-78(146)147)122-106(176)85(116)51(5)6/h23-26,50-55,58-74,85-89,138-140,183H,12-22,27-49,112-114,116H2,1-11H3,(H2,115,141)(H,117,162)(H,118,160)(H,119,163)(H,120,170)(H,121,171)(H,122,176)(H,123,178)(H,124,177)(H,125,169)(H,126,161)(H,127,168)(H,128,164)(H,129,174)(H,130,179)(H,131,180)(H,132,172)(H,133,165)(H,134,166)(H,135,167)(H,136,175)(H,137,173)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,181,182)/t53-,54-,55+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-,86-,87-,88-,89-/m0/s1

InChIKey

ATPVNTIOJUSZLJ-QDXOCKPJSA-N

Compound name

(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid

Related CIDs

• CID 16197267