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

Systemtic Name: 4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-6-methyl-3-sulfanyl-heptanoic acid Openeye Name: 4-[(2-amino-1-benzyl-2-oxo-ethyl)carbamoyl]-6-methyl-3-sulfanyl-heptanoic acid CAS Name: 4-[[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]-3-mercapto-6-methylheptanoic acid IUPAC Name: 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-6-methyl-3-sulfanylheptanoic acid Traditional Name: 4-[(2-amino-1-benzyl-2-keto-ethyl)carbamoyl]-3-mercapto-6-methyl-enanthic acid Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-11(2)8-13(15(25)10-16(21)22)18(24)20-14(17(19)23)9-12-6-4-3-5-7-12/h3-7,11,13-15,25H,8-10H2,1-2H3,(H2,19,23)(H,20,24)(H,21,22)