4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[[(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-methyl-hexanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[[(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-methyl-hexanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[(3S)-3-[[(2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-methyl-hexanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-5-methyl-1-oxohexyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-methylhexanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-[(2-amino-1-benzyl-2-keto-ethyl)amino]-3-[[(3S)-3-[[(2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-methyl-hexanoyl]amino]-4-keto-butyric acid Formula: C36H48N6O8 MolecularWeight: 692.80172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](CC(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H48N6O8/c1-21(2)15-24(18-30(43)40-29(19-31(44)45)34(48)41-27(32(37)46)16-22-11-7-6-8-12-22)39-33(47)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,(H2,37,46)(H,39,47)(H,40,43)(H,41,48)(H,42,49)(H,44,45)/t24-,27?,28+,29?/m0/s1