methyl (3S,4S)-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-6-methyl-3-sulfanyl-heptanoate

Systemtic Name: methyl (3S,4S)-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-6-methyl-3-sulfanyl-heptanoate Openeye Name: methyl (3S,4S)-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-6-methyl-3-sulfanyl-heptanoate CAS Name: (3S,4S)-4-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-3-mercapto-6-methylheptanoic acid methyl ester IUPAC Name: methyl (3S,4S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-6-methyl-3-sulfanylheptanoate Traditional Name: (3S,4S)-4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3-mercapto-6-methyl-enanthic acid methyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@H]([C@H](CC(=O)OC)S)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C19H28N2O4S/c1-12(2)9-14(16(26)11-17(22)25-3)19(24)21-15(18(20)23)10-13-7-5-4-6-8-13/h4-8,12,14-16,26H,9-11H2,1-3H3,(H2,20,23)(H,21,24)/t14-,15+,16+/m1/s1