Lldcwvrlgryllrrlkt

Structural Information

Molecular Formula

C₁₀₄H₁₇₆N₃₂O₂₃S

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C104H176N32O23S/c1-52(2)40-64(106)84(142)126-72(42-54(5)6)93(151)133-78(48-81(140)141)96(154)134-79(51-160)98(156)132-77(47-61-49-119-65-25-17-16-24-63(61)65)97(155)135-82(58(13)14)99(157)125-70(30-23-39-118-104(113)114)89(147)127-71(41-53(3)4)85(143)120-50-80(139)121-66(27-20-36-115-101(107)108)86(144)131-76(46-60-31-33-62(138)34-32-60)95(153)130-75(45-57(11)12)94(152)129-74(44-56(9)10)92(150)124-68(28-21-37-116-102(109)110)87(145)122-69(29-22-38-117-103(111)112)88(146)128-73(43-55(7)8)91(149)123-67(26-18-19-35-105)90(148)136-83(59(15)137)100(158)159/h16-17,24-25,31-34,49,52-59,64,66-79,82-83,119,137-138,160H,18-23,26-30,35-48,50-51,105-106H2,1-15H3,(H,120,143)(H,121,139)(H,122,145)(H,123,149)(H,124,150)(H,125,157)(H,126,142)(H,127,147)(H,128,146)(H,129,152)(H,130,153)(H,131,144)(H,132,156)(H,133,151)(H,134,154)(H,135,155)(H,136,148)(H,140,141)(H,158,159)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)(H4,113,114,118)/t59-,64+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,82+,83+/m1/s1

InChIKey

JFFNZXXGSKQWJG-XRAZRZKUSA-N

Compound name

(3S)-4-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 71597432