(3S)-3-azanyl-4-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-4-oxidanylidene-butanoic acid hydrate

Systemtic Name: (3S)-3-azanyl-4-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-4-oxidanylidene-butanoic acid hydrate Openeye Name: (3S)-3-amino-4-[(4-methyl-2-oxo-chromen-7-yl)amino]-4-oxo-butanoic acid hydrate CAS Name: (3S)-3-amino-4-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-4-oxobutanoic acid hydrate IUPAC Name: (3S)-3-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid hydrate Traditional Name: (3S)-3-amino-4-keto-4-[(2-keto-4-methyl-chromen-7-yl)amino]butyric acid hydrate Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5.H2O/c1-7-4-13(19)21-11-5-8(2-3-9(7)11)16-14(20)10(15)6-12(17)18;/h2-5,10H,6,15H2,1H3,(H,16,20)(H,17,18);1H2/t10-;/m0./s1