[4-[(5-azanyl-1-methyl-pyrazol-4-yl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]carbamic acid

Systemtic Name: [4-[(5-azanyl-1-methyl-pyrazol-4-yl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl]carbamic acid Openeye Name: [4-[(5-amino-1-methyl-pyrazol-4-yl)amino]-3-(benzyloxycarbonylamino)-4-oxo-butyl]carbamic acid CAS Name: [4-[(5-amino-1-methyl-4-pyrazolyl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butyl]carbamic acid IUPAC Name: [4-[(5-amino-1-methylpyrazol-4-yl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butyl]carbamic acid Traditional Name: [4-[(5-amino-1-methyl-pyrazol-4-yl)amino]-3-(benzyloxycarbonylamino)-4-keto-butyl]carbamic acid Formula: C17H22N6O5 MolecularWeight: 390.39378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)NC(=O)C(CCNC(=O)O)NC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CN1C(=C(C=N1)NC(=O)C(CCNC(=O)O)NC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C17H22N6O5/c1-23-14(18)13(9-20-23)21-15(24)12(7-8-19-16(25)26)22-17(27)28-10-11-5-3-2-4-6-11/h2-6,9,12,19H,7-8,10,18H2,1H3,(H,21,24)(H,22,27)(H,25,26)