3-[4-[[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]methylcarbamoyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]methylcarbamoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methylcarbamoyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[[[2-methyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-oxomethyl]phenyl]methylamino]-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methylcarbamoyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[[2-methyl-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)benzyl]carbamoyl]piperazino]propionic acid Formula: C28H33N7O4 MolecularWeight: 531.60612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CNC(=O)N5CCN(CC5)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CNC(=O)N5CCN(CC5)CCC(=O)O

InChI

InChI=1S/C28H33N7O4/c1-19-15-20(7-8-21(19)16-29-28(39)34-13-11-33(12-14-34)10-9-25(36)37)27(38)35-18-22-17-30-32(2)26(22)31-23-5-3-4-6-24(23)35/h3-8,15,17,30H,9-14,16,18H2,1-2H3,(H,29,39)(H,36,37)