2-[(2-azanyl-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)-1-propanoyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid

Systemtic Name: 2-[(2-azanyl-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)-1-propanoyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Openeye Name: 2-[(2-amino-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)-1-propanoyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid CAS Name: 2-[(2-amino-2-methyl-1-oxopropyl)amino]-3-(1H-indol-3-yl)-1-(1-oxopropyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid IUPAC Name: 2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)-1-propanoyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Traditional Name: 2-[(2-amino-2-methyl-propanoyl)amino]-3-(1H-indol-3-yl)-1-propionyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C2=C(CC(N1NC(=O)C(C)(C)N)C3=CNC4=CC=CC=C43)C=C(C=C2)C(=O)O

Isomeric SMILES

CCC(=O)C1C2=C(CC(N1NC(=O)C(C)(C)N)C3=CNC4=CC=CC=C43)C=C(C=C2)C(=O)O

InChI

InChI=1S/C25H28N4O4/c1-4-21(30)22-16-10-9-14(23(31)32)11-15(16)12-20(29(22)28-24(33)25(2,3)26)18-13-27-19-8-6-5-7-17(18)19/h5-11,13,20,22,27H,4,12,26H2,1-3H3,(H,28,33)(H,31,32)