3-[(2-azanyl-4-methyl-pentanoyl)amino]-4-[(1-azanyl-1-oxidanylidene-3-phenyl-3-sulfanylidene-propan-2-yl)-phenylmethoxycarbonyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(2-azanyl-4-methyl-pentanoyl)amino]-4-[(1-azanyl-1-oxidanylidene-3-phenyl-3-sulfanylidene-propan-2-yl)-phenylmethoxycarbonyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-amino-1-(benzenecarbonothioyl)-2-oxo-ethyl]-benzyloxycarbonyl-amino]-3-[(2-amino-4-methyl-pentanoyl)amino]-4-oxo-butanoic acid CAS Name: 3-[(2-amino-4-methyl-1-oxopentyl)amino]-4-[(1-amino-1-oxo-3-phenyl-3-sulfanylidenepropan-2-yl)-phenylmethoxycarbonylamino]-4-oxobutanoic acid IUPAC Name: 3-[(2-amino-4-methylpentanoyl)amino]-4-[(1-amino-1-oxo-3-phenyl-3-sulfanylidenepropan-2-yl)-phenylmethoxycarbonylamino]-4-oxobutanoic acid Traditional Name: 4-[[2-amino-1-(benzenecarbonothioyl)-2-keto-ethyl]-carbobenzoxy-amino]-3-[(2-amino-4-methyl-pentanoyl)amino]-4-keto-butyric acid Formula: C27H32N4O7S MolecularWeight: 556.63058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)N(C(C(=S)C1=CC=CC=C1)C(=O)N)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)N(C(C(=S)C1=CC=CC=C1)C(=O)N)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C27H32N4O7S/c1-16(2)13-19(28)25(35)30-20(14-21(32)33)26(36)31(27(37)38-15-17-9-5-3-6-10-17)22(24(29)34)23(39)18-11-7-4-8-12-18/h3-12,16,19-20,22H,13-15,28H2,1-2H3,(H2,29,34)(H,30,35)(H,32,33)