Rvvrdpqgirayvawrnr

Structural Information

Molecular Formula

C₉₇H₁₅₈N₃₆O₂₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C97H158N36O24/c1-11-49(8)75(129-70(137)45-117-79(143)61(32-33-68(99)135)121-86(150)67-27-19-39-133(67)91(155)66(43-71(138)139)128-82(146)60(25-17-37-114-96(107)108)122-88(152)73(47(4)5)132-89(153)74(48(6)7)130-78(142)56(98)21-14-34-111-93(101)102)90(154)123-58(23-15-35-112-94(103)104)80(144)118-50(9)76(140)125-63(40-52-28-30-54(134)31-29-52)85(149)131-72(46(2)3)87(151)119-51(10)77(141)126-64(41-53-44-116-57-22-13-12-20-55(53)57)83(147)120-59(24-16-36-113-95(105)106)81(145)127-65(42-69(100)136)84(148)124-62(92(156)157)26-18-38-115-97(109)110/h12-13,20,22,28-31,44,46-51,56,58-67,72-75,116,134H,11,14-19,21,23-27,32-43,45,98H2,1-10H3,(H2,99,135)(H2,100,136)(H,117,143)(H,118,144)(H,119,151)(H,120,147)(H,121,150)(H,122,152)(H,123,154)(H,124,148)(H,125,140)(H,126,141)(H,127,145)(H,128,146)(H,129,137)(H,130,142)(H,131,149)(H,132,153)(H,138,139)(H,156,157)(H4,101,102,111)(H4,103,104,112)(H4,105,106,113)(H4,107,108,114)(H4,109,110,115)/t49-,50-,51-,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-,75-/m0/s1

InChIKey

ABCPFKUFCJZLKK-SCFBZOOJSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16130515