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

Systemtic Name: (3S)-2-[(2S)-2-azanyl-3-oxidanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(2S)-2-amino-3-hydroxy-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[(2S)-2-amino-3-hydroxy-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(2S)-2-amino-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(2S)-2-amino-3-hydroxy-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c14-10(7-16)12(17)15-6-9-4-2-1-3-8(9)5-11(15)13(18)19/h1-4,10-11,16H,5-7,14H2,(H,18,19)/t10-,11-/m0/s1