methyl (2S)-4-methyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoyl]amino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoyl]amino]pentanoate Openeye Name: methyl (2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2R)-3-mercapto-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-mercapto-propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CS)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CS)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H26N2O5S/c1-12(2)9-14(17(22)24-3)19-16(21)15(11-26)20-18(23)25-10-13-7-5-4-6-8-13/h4-8,12,14-15,26H,9-11H2,1-3H3,(H,19,21)(H,20,23)/t14-,15-/m0/s1