2-[(4-methylphenyl)sulfonylamino]-3-[[4-oxidanylidene-5-(2-piperidin-3-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-3-[[4-oxidanylidene-5-(2-piperidin-3-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[4-oxo-5-[2-(3-piperidyl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-[[oxo-[4-oxo-5-[2-(3-piperidinyl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]amino]propanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-3-[[4-oxo-5-(2-piperidin-3-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[4-keto-5-[2-(3-piperidyl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]-2-(tosylamino)propionic acid Formula: C25H34N6O6S MolecularWeight: 546.63906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=NN3CCCN(C(=O)C3=C2)CCC4CCCNC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=NN3CCCN(C(=O)C3=C2)CCC4CCCNC4)C(=O)O

InChI

InChI=1S/C25H34N6O6S/c1-17-5-7-19(8-6-17)38(36,37)29-21(25(34)35)16-27-23(32)20-14-22-24(33)30(11-3-12-31(22)28-20)13-9-18-4-2-10-26-15-18/h5-8,14,18,21,26,29H,2-4,9-13,15-16H2,1H3,(H,27,32)(H,34,35)