Mdyqvsspiydinyytsepsqk

Structural Information

Molecular Formula

C₁₁₇H₁₇₀N₂₆O₄₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C117H170N26O41S/c1-9-57(5)93(112(178)133-77(49-88(122)155)102(168)128-74(46-61-20-28-65(150)29-21-61)100(166)130-76(48-63-24-32-67(152)33-25-63)104(170)141-95(59(7)148)114(180)136-81(53-145)107(173)125-71(36-39-89(156)157)115(181)142-42-13-16-84(142)109(175)134-80(52-144)106(172)124-69(34-37-86(120)153)97(163)126-72(117(183)184)15-11-12-41-118)139-105(171)79(51-91(160)161)131-101(167)75(47-62-22-30-66(151)31-23-62)132-113(179)94(58(6)10-2)140-110(176)85-17-14-43-143(85)116(182)83(55-147)137-108(174)82(54-146)135-111(177)92(56(3)4)138-98(164)70(35-38-87(121)154)123-99(165)73(45-60-18-26-64(149)27-19-60)129-103(169)78(50-90(158)159)127-96(162)68(119)40-44-185-8/h18-33,56-59,68-85,92-95,144-152H,9-17,34-55,118-119H2,1-8H3,(H2,120,153)(H2,121,154)(H2,122,155)(H,123,165)(H,124,172)(H,125,173)(H,126,163)(H,127,162)(H,128,168)(H,129,169)(H,130,166)(H,131,167)(H,132,179)(H,133,178)(H,134,175)(H,135,177)(H,136,180)(H,137,174)(H,138,164)(H,139,171)(H,140,176)(H,141,170)(H,156,157)(H,158,159)(H,160,161)(H,183,184)/t57-,58-,59+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,92-,93-,94-,95-/m0/s1

InChIKey

HLSQWDVQOJOIST-FJSLEGQWSA-N

Compound name

(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid

Related CIDs

• CID 16130407