4-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(2S)-2-methylcyclohexyl]oxycarbonylamino]propanoyl]amino]-3-phenyl-propyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(2S)-2-methylcyclohexyl]oxycarbonylamino]propanoyl]amino]-3-phenyl-propyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(2S)-2-methylcyclohexoxy]carbonylamino]propanoyl]amino]-3-phenyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[[(2S)-2-methylcyclohexyl]oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(2S)-2-methylcyclohexyl]oxycarbonylamino]propanoyl]amino]-3-phenylpropyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(2S)-2-methylcyclohexoxy]carbonylamino]propanoyl]amino]-3-phenyl-propyl]amino]-4-keto-butyric acid Formula: C33H42N4O6 MolecularWeight: 590.70978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1OC(=O)NC(C)(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC=CC=C4)CNC(=O)CCC(=O)O

Isomeric SMILES

C[C@H]1CCCCC1OC(=O)N[C@](C)(CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CC=CC=C4)CNC(=O)CCC(=O)O

InChI

InChI=1S/C33H42N4O6/c1-22-10-6-9-15-28(22)43-32(42)37-33(2,19-24-20-34-27-14-8-7-13-26(24)27)31(41)36-25(18-23-11-4-3-5-12-23)21-35-29(38)16-17-30(39)40/h3-5,7-8,11-14,20,22,25,28,34H,6,9-10,15-19,21H2,1-2H3,(H,35,38)(H,36,41)(H,37,42)(H,39,40)/t22-,25-,28?,33+/m0/s1