(3S)-2-[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC(=O)O)N)C(=O)O

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC(=O)O)N)C(=O)O

InChI

InChI=1S/C14H16N2O5/c15-10(6-12(17)18)13(19)16-7-9-4-2-1-3-8(9)5-11(16)14(20)21/h1-4,10-11H,5-7,15H2,(H,17,18)(H,20,21)/t10-,11-/m0/s1