Gelgrlvylldgpgydpihcd

Structural Information

Molecular Formula

C₁₀₃H₁₅₆N₂₆O₃₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN

InChI

InChI=1S/C103H156N26O32S/c1-13-55(12)85(100(158)122-69(39-58-44-107-49-112-58)94(152)125-73(48-162)96(154)124-72(102(160)161)42-83(142)143)127-98(156)75-19-16-32-129(75)101(159)71(41-82(140)141)123-92(150)67(37-56-20-24-59(130)25-21-56)115-78(134)46-110-97(155)74-18-15-31-128(74)79(135)47-111-87(145)70(40-81(138)139)120-91(149)65(35-52(6)7)118-90(148)64(34-51(4)5)119-93(151)68(38-57-22-26-60(131)27-23-57)121-99(157)84(54(10)11)126-95(153)66(36-53(8)9)117-88(146)61(17-14-30-108-103(105)106)114-77(133)45-109-86(144)63(33-50(2)3)116-89(147)62(28-29-80(136)137)113-76(132)43-104/h20-27,44,49-55,61-75,84-85,130-131,162H,13-19,28-43,45-48,104H2,1-12H3,(H,107,112)(H,109,144)(H,110,155)(H,111,145)(H,113,132)(H,114,133)(H,115,134)(H,116,147)(H,117,146)(H,118,148)(H,119,151)(H,120,149)(H,121,157)(H,122,158)(H,123,150)(H,124,154)(H,125,152)(H,126,153)(H,127,156)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,160,161)(H4,105,106,108)/t55-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,84-,85-/m0/s1

InChIKey

SGOUQEFTGNWWCJ-RKSKHHLWSA-N

Compound name

(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]butanedioic acid

Related CIDs

• CID 71597579