3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]methylcarbamoylamino]propanoic acid

Systemtic Name: 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]methylcarbamoylamino]propanoic acid Openeye Name: 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]propanoic acid CAS Name: 3-[[[[2-methyl-4-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]phenyl]methylamino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]propanoic acid Traditional Name: 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzyl]carbamoylamino]propionic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)NCCC(=O)O

InChI

InChI=1S/C23H27N3O4/c1-16-14-18(9-10-19(16)15-25-23(30)24-12-11-21(27)28)22(29)26-13-5-4-7-17-6-2-3-8-20(17)26/h2-3,6,8-10,14H,4-5,7,11-13,15H2,1H3,(H,27,28)(H2,24,25,30)