ethyl (2R)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-4-25-18(23)16(12-27)20-17(22)15(10-13(2)3)21-19(24)26-11-14-8-6-5-7-9-14/h5-9,13,15-16,27H,4,10-12H2,1-3H3,(H,20,22)(H,21,24)/t15-,16-/m0/s1