3-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]-phenylmethoxycarbonyl-amino]-3-sulfanylidene-propanoic acid

Systemtic Name: 3-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]-phenylmethoxycarbonyl-amino]-3-sulfanylidene-propanoic acid Openeye Name: 3-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]-benzyloxycarbonyl-amino]-3-thioxo-propanoic acid CAS Name: 3-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-methyl-1-oxopentyl]-phenylmethoxycarbonylamino]-3-sulfanylidenepropanoic acid IUPAC Name: 3-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]-phenylmethoxycarbonylamino]-3-sulfanylidenepropanoic acid Traditional Name: 3-[carbobenzoxy-[4-methyl-2-(phenylalanylamino)pentanoyl]amino]-3-thioxo-propionic acid Formula: C26H31N3O6S MolecularWeight: 513.60584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(=S)CC(=O)O)C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)N(C(=S)CC(=O)O)C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C26H31N3O6S/c1-17(2)13-21(28-24(32)20(27)14-18-9-5-3-6-10-18)25(33)29(22(36)15-23(30)31)26(34)35-16-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16,27H2,1-2H3,(H,28,32)(H,30,31)