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

Systemtic Name: N-[(2S)-6-acetamido-1-oxidanylidene-1-[(phenylmethyl)amino]hexan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[(1S)-5-acetamido-1-(benzylcarbamoyl)pentyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[(2S)-6-acetamido-1-oxo-1-[(phenylmethyl)amino]hexan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[(2S)-6-acetamido-1-(benzylamino)-1-oxohexan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[(1S)-5-acetamido-1-(benzylcarbamoyl)pentyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2

Isomeric SMILES

CC(=O)NCCCC[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2

InChI

InChI=1S/C25H32N4O3/c1-18(30)26-14-8-7-13-22(24(31)28-16-19-9-3-2-4-10-19)29-25(32)23-15-20-11-5-6-12-21(20)17-27-23/h2-6,9-12,22-23,27H,7-8,13-17H2,1H3,(H,26,30)(H,28,31)(H,29,32)/t22-,23?/m0/s1