V3 loop synthetic peptide, chtrkrvtlgpgrvwyttge

Structural Information

Molecular Formula

C₉₈H₁₅₅N₃₃O₂₈S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C98H155N33O28S/c1-45(2)34-64(123-93(156)77(50(9)134)130-91(154)74(47(5)6)126-84(147)62(28-32-110-98(105)106)119-81(144)59(18-13-14-29-99)118-82(145)61(27-31-109-97(103)104)120-92(155)76(49(8)133)127-87(150)67(37-54-39-107-44-115-54)121-79(142)57(100)43-160)80(143)114-42-71(139)131-33-15-19-68(131)88(151)112-40-69(137)116-60(26-30-108-96(101)102)83(146)125-73(46(3)4)90(153)124-66(36-53-38-111-58-17-12-11-16-56(53)58)85(148)122-65(35-52-20-22-55(136)23-21-52)86(149)128-78(51(10)135)94(157)129-75(48(7)132)89(152)113-41-70(138)117-63(95(158)159)24-25-72(140)141/h11-12,16-17,20-23,38-39,44-51,57,59-68,73-78,111,132-136,160H,13-15,18-19,24-37,40-43,99-100H2,1-10H3,(H,107,115)(H,112,151)(H,113,152)(H,114,143)(H,116,137)(H,117,138)(H,118,145)(H,119,144)(H,120,155)(H,121,142)(H,122,148)(H,123,156)(H,124,153)(H,125,146)(H,126,147)(H,127,150)(H,128,149)(H,129,157)(H,130,154)(H,140,141)(H,158,159)(H4,101,102,108)(H4,103,104,109)(H4,105,106,110)/t48-,49-,50-,51-,57+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,73+,74+,75+,76+,77+,78+/m1/s1

InChIKey

ZGQYQRNRENIPJS-IRBAZYNJSA-N

Compound name

(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-carbamimidamidobutanoyl]amino]hexanoyl]amino]-4-carbamimidamidobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-carbamimidamidobutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanedioic acid

Related CIDs

• CID 16186428