(3S)-2-[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(2S)-2-amino-5-hydroxy-5-oxo-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[(2S)-2-amino-5-hydroxy-1,5-dioxopentyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(2S)-2-amino-5-hydroxy-5-keto-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c16-11(5-6-13(18)19)14(20)17-8-10-4-2-1-3-9(10)7-12(17)15(21)22/h1-4,11-12H,5-8,16H2,(H,18,19)(H,21,22)/t11-,12-/m0/s1