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

Systemtic Name: methyl (3S,4S)-6-methyl-4-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3-sulfanyl-heptanoate Openeye Name: methyl (3S,4S)-4-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-6-methyl-3-sulfanyl-heptanoate CAS Name: (3S,4S)-3-mercapto-6-methyl-4-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]heptanoic acid methyl ester IUPAC Name: methyl (3S,4S)-6-methyl-4-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-sulfanylheptanoate Traditional Name: (3S,4S)-4-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-3-mercapto-6-methyl-enanthic acid methyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4S/c1-13(2)10-15(17(27)12-18(23)26-4)19(24)22-16(20(25)21-3)11-14-8-6-5-7-9-14/h5-9,13,15-17,27H,10-12H2,1-4H3,(H,21,25)(H,22,24)/t15-,16+,17+/m1/s1