N-[(2S)-6-acetamido-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[(2S)-6-acetamido-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[(1S)-5-acetamido-1-(phenylcarbamoyl)pentyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[(2S)-6-acetamido-1-anilino-1-oxohexan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[(2S)-6-acetamido-1-anilino-1-oxohexan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[(1S)-5-acetamido-1-(phenylcarbamoyl)pentyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2

Isomeric SMILES

CC(=O)NCCCC[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2

InChI

InChI=1S/C24H30N4O3/c1-17(29)25-14-8-7-13-21(23(30)27-20-11-3-2-4-12-20)28-24(31)22-15-18-9-5-6-10-19(18)16-26-22/h2-6,9-12,21-22,26H,7-8,13-16H2,1H3,(H,25,29)(H,27,30)(H,28,31)/t21-,22?/m0/s1