methyl (2S)-2-[[(2S)-4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(2S)-4-amino-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(2S)-4-amino-2-(benzyloxycarbonylamino)-4-keto-butanoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21N3O7/c1-25-15(23)12(8-20)18-14(22)11(7-13(17)21)19-16(24)26-9-10-5-3-2-4-6-10/h2-6,11-12,20H,7-9H2,1H3,(H2,17,21)(H,18,22)(H,19,24)/t11-,12-/m0/s1