4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-3-ethanoylsulfanyl-6-methyl-heptanoic acid

Systemtic Name: 4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-3-ethanoylsulfanyl-6-methyl-heptanoic acid Openeye Name: 3-acetylsulfanyl-4-[(2-amino-1-benzyl-2-oxo-ethyl)carbamoyl]-6-methyl-heptanoic acid CAS Name: 3-(acetylthio)-4-[[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]-6-methylheptanoic acid IUPAC Name: 3-acetylsulfanyl-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-6-methylheptanoic acid Traditional Name: 3-(acetylthio)-4-[(2-amino-1-benzyl-2-keto-ethyl)carbamoyl]-6-methyl-enanthic acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)O)SC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N

Isomeric SMILES

CC(C)CC(C(CC(=O)O)SC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C20H28N2O5S/c1-12(2)9-15(17(11-18(24)25)28-13(3)23)20(27)22-16(19(21)26)10-14-7-5-4-6-8-14/h4-8,12,15-17H,9-11H2,1-3H3,(H2,21,26)(H,22,27)(H,24,25)