(phenylmethyl) (3S)-3-azanyl-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate hydrochloride

Systemtic Name: (phenylmethyl) (3S)-3-azanyl-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate hydrochloride Openeye Name: benzyl (3S)-3-amino-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoate hydrochloride CAS Name: (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate hydrochloride Traditional Name: (3S)-3-amino-4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-4-keto-butyric acid benzyl ester hydrochloride Formula: C21H25ClN2O5 MolecularWeight: 420.8866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N.Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C21H24N2O5.ClH/c1-27-21(26)18(12-15-8-4-2-5-9-15)23-20(25)17(22)13-19(24)28-14-16-10-6-3-7-11-16;/h2-11,17-18H,12-14,22H2,1H3,(H,23,25);1H/t17-,18-;/m0./s1