[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-4-oxidanylidene-butanoyl]-cyclopropyl-amino] 2-[(3-methylquinolin-8-yl)sulfonylamino]ethanoate

Systemtic Name: [[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-4-oxidanylidene-butanoyl]-cyclopropyl-amino] 2-[(3-methylquinolin-8-yl)sulfonylamino]ethanoate Openeye Name: [[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-4-oxo-butanoyl]-cyclopropyl-amino] 2-[(3-methyl-8-quinolyl)sulfonylamino]acetate CAS Name: 2-[(3-methyl-8-quinolinyl)sulfonylamino]acetic acid [[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-1,4-dioxobutyl]-cyclopropylamino] ester IUPAC Name: [[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-4-oxobutanoyl]-cyclopropylamino] 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate Traditional Name: 2-[(3-methyl-8-quinolyl)sulfonylamino]acetic acid [[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-butanoyl]-cyclopropyl-amino] ester Formula: C26H35N7O6S MolecularWeight: 573.6644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCC(=O)ON(C3CC3)C(=O)CCC(=O)NCC4CCCN(C4)C(=N)N

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NCC(=O)ON(C3CC3)C(=O)CCC(=O)NCC4CCCN(C4)C(=N)N

InChI

InChI=1S/C26H35N7O6S/c1-17-12-19-5-2-6-21(25(19)30-13-17)40(37,38)31-15-24(36)39-33(20-7-8-20)23(35)10-9-22(34)29-14-18-4-3-11-32(16-18)26(27)28/h2,5-6,12-13,18,20,31H,3-4,7-11,14-16H2,1H3,(H3,27,28)(H,29,34)