4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonylamino]butanoic acid Openeye Name: 4-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoic acid CAS Name: 4-[[oxo-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]butanoic acid IUPAC Name: 4-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoic acid Traditional Name: 4-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butyric acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC=C21)C(=O)NCCCC(=O)O

Isomeric SMILES

C1[C@H](NCC2=CC=CC=C21)C(=O)NCCCC(=O)O

InChI

InChI=1S/C14H18N2O3/c17-13(18)6-3-7-15-14(19)12-8-10-4-1-2-5-11(10)9-16-12/h1-2,4-5,12,16H,3,6-9H2,(H,15,19)(H,17,18)/t12-/m0/s1