(phenylmethyl) (2S)-6-azanyl-2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]hexanoate

Systemtic Name: (phenylmethyl) (2S)-6-azanyl-2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]hexanoate Openeye Name: benzyl (2S)-6-amino-2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]hexanoate CAS Name: (2S)-6-amino-2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-6-amino-2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]hexanoate Traditional Name: (2S)-6-amino-2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]hexanoic acid benzyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(CCCCN)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)N[C@@H](CCCCN)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4N2

InChI

InChI=1S/C26H28N4O3/c1-17-24-20(19-11-5-6-12-21(19)29-24)15-23(28-17)25(31)30-22(13-7-8-14-27)26(32)33-16-18-9-3-2-4-10-18/h2-6,9-12,15,22,29H,7-8,13-14,16,27H2,1H3,(H,30,31)/t22-/m0/s1