2-[(2R)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-N-ethyl-3,4-dihydro-1H-isoquinoline-6-carboxamide

Systemtic Name: 2-[(2R)-2-[(2-azanyl-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-N-ethyl-3,4-dihydro-1H-isoquinoline-6-carboxamide Openeye Name: 2-[(2R)-2-[(2-amino-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-N-ethyl-3,4-dihydro-1H-isoquinoline-6-carboxamide CAS Name: 2-[(2R)-2-[(2-amino-2-methyl-1-oxopropyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]-N-ethyl-3,4-dihydro-1H-isoquinoline-6-carboxamide IUPAC Name: 2-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-N-ethyl-3,4-dihydro-1H-isoquinoline-6-carboxamide Traditional Name: 2-[(2R)-2-[(2-amino-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-N-ethyl-3,4-dihydro-1H-isoquinoline-6-carboxamide Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC2=C(CN(CC2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(C)(C)N)C=C1

Isomeric SMILES

CCNC(=O)C1=CC2=C(CN(CC2)C(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)C(C)(C)N)C=C1

InChI

InChI=1S/C27H33N5O3/c1-4-29-24(33)18-9-10-19-16-32(12-11-17(19)13-18)25(34)23(31-26(35)27(2,3)28)14-20-15-30-22-8-6-5-7-21(20)22/h5-10,13,15,23,30H,4,11-12,14,16,28H2,1-3H3,(H,29,33)(H,31,35)/t23-/m1/s1