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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4=C(C3)C=CC(=C4)C(=O)O)N

Isomeric SMILES

CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4=C(C3)C=CC(=C4)C(=O)O)N

InChI

InChI=1S/C25H28N4O4/c1-25(2,26)24(33)28-21(12-18-13-27-20-6-4-3-5-19(18)20)22(30)29-10-9-15-11-16(23(31)32)7-8-17(15)14-29/h3-8,11,13,21,27H,9-10,12,14,26H2,1-2H3,(H,28,33)(H,31,32)