(phenylmethyl) (3S)-3-azanyl-4-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-3-azanyl-4-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-amino-4-[(4-methyl-2-oxo-chromen-7-yl)amino]-4-oxo-butanoate CAS Name: (3S)-3-amino-4-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoate Traditional Name: (3S)-3-amino-4-keto-4-[(2-keto-4-methyl-chromen-7-yl)amino]butyric acid benzyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C21H20N2O5/c1-13-9-20(25)28-18-10-15(7-8-16(13)18)23-21(26)17(22)11-19(24)27-12-14-5-3-2-4-6-14/h2-10,17H,11-12,22H2,1H3,(H,23,26)/t17-/m0/s1