4-[(4-azanyl-4-oxidanylidene-1-phenyl-butan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-azanyl-4-oxidanylidene-1-phenyl-butan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-amino-1-benzyl-3-oxo-propyl)amino]-3-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-[(4-amino-4-oxo-1-phenylbutan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(4-amino-4-oxo-1-phenylbutan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-[(3-amino-1-benzyl-3-keto-propyl)amino]-3-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butyric acid Formula: C36H48N6O8 MolecularWeight: 692.80172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)CC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)CC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H48N6O8/c1-21(2)15-27(33(47)41-29(19-31(44)45)32(46)39-24(18-30(37)43)16-22-11-7-6-8-12-22)40-34(48)28(42-35(49)50-36(3,4)5)17-23-20-38-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-29,38H,15-19H2,1-5H3,(H2,37,43)(H,39,46)(H,40,48)(H,41,47)(H,42,49)(H,44,45)