Dcwvrlgryllrrlktpf

Structural Information

Molecular Formula

C₁₀₆H₁₇₀N₃₂O₂₃S

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)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](CC3=CC=C(C=C3)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](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)N)O

InChI

InChI=1S/C106H170N32O23S/c1-55(2)44-73(128-91(149)72(32-22-42-120-106(115)116)127-100(158)84(59(9)10)136-97(155)78(50-63-52-121-67-27-16-15-26-65(63)67)133-98(156)80(54-162)135-86(144)66(108)51-83(142)143)87(145)122-53-82(141)123-68(29-19-39-117-103(109)110)88(146)132-77(48-62-34-36-64(140)37-35-62)96(154)131-76(47-58(7)8)95(153)130-75(46-57(5)6)94(152)126-70(30-20-40-118-104(111)112)89(147)124-71(31-21-41-119-105(113)114)90(148)129-74(45-56(3)4)93(151)125-69(28-17-18-38-107)92(150)137-85(60(11)139)101(159)138-43-23-33-81(138)99(157)134-79(102(160)161)49-61-24-13-12-14-25-61/h12-16,24-27,34-37,52,55-60,66,68-81,84-85,121,139-140,162H,17-23,28-33,38-51,53-54,107-108H2,1-11H3,(H,122,145)(H,123,141)(H,124,147)(H,125,151)(H,126,152)(H,127,158)(H,128,149)(H,129,148)(H,130,153)(H,131,154)(H,132,146)(H,133,156)(H,134,157)(H,135,144)(H,136,155)(H,137,150)(H,142,143)(H,160,161)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t60-,66+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,84+,85+/m1/s1

InChIKey

YFYOVXXRSOXIIA-PIHFGJNSSA-N

Compound name

(3S)-3-amino-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-[[(2S,3R)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]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]-4-oxobutanoic acid

Related CIDs

• CID 71597236