S-[(2R)-2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4-methyl-pentyl] ethanethioate

Systemtic Name: S-[(2R)-2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4-methyl-pentyl] ethanethioate Openeye Name: S-[(2R)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-methyl-pentyl] ethanethioate CAS Name: ethanethioic acid S-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-4-methylpentyl] ester IUPAC Name: S-[(2R)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-4-methylpentyl] ethanethioate Traditional Name: ethanethioic acid S-[(2R)-2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-4-methyl-pentyl] ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-12(2)9-15(11-24-13(3)21)18(23)20-16(17(19)22)10-14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H2,19,22)(H,20,23)/t15-,16-/m0/s1