(phenylmethyl) 2-[(5S)-3,5-bis(azanyl)-2-oxidanyl-4-oxidanylidene-hexan-3-yl]benzoate

Systemtic Name: (phenylmethyl) 2-[(5S)-3,5-bis(azanyl)-2-oxidanyl-4-oxidanylidene-hexan-3-yl]benzoate Openeye Name: benzyl 2-[(3S)-1,3-diamino-1-(1-hydroxyethyl)-2-oxo-butyl]benzoate CAS Name: 2-[(5S)-3,5-diamino-2-hydroxy-4-oxohexan-3-yl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5S)-3,5-diamino-2-hydroxy-4-oxohexan-3-yl]benzoate Traditional Name: 2-[(3S)-1,3-diamino-1-(1-hydroxyethyl)-2-keto-butyl]benzoic acid benzyl ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C1=CC=CC=C1C(=O)OCC2=CC=CC=C2)(C(C)O)N)N

Isomeric SMILES

C[C@@H](C(=O)C(C1=CC=CC=C1C(=O)OCC2=CC=CC=C2)(C(C)O)N)N

InChI

InChI=1S/C20H24N2O4/c1-13(21)18(24)20(22,14(2)23)17-11-7-6-10-16(17)19(25)26-12-15-8-4-3-5-9-15/h3-11,13-14,23H,12,21-22H2,1-2H3/t13-,14?,20?/m0/s1