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

Systemtic Name: [[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-[(3-methylquinolin-8-yl)sulfonylamino]-4-oxidanylidene-butanoyl]-cyclopropyl-amino] ethanoate Openeye Name: [[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-[(3-methyl-8-quinolyl)sulfonylamino]-4-oxo-butanoyl]-cyclopropyl-amino] acetate CAS Name: acetic acid [[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-[(3-methyl-8-quinolinyl)sulfonylamino]-1,4-dioxobutyl]-cyclopropylamino] ester IUPAC Name: [[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-[(3-methylquinolin-8-yl)sulfonylamino]-4-oxobutanoyl]-cyclopropylamino] acetate Traditional Name: acetic acid [[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-[(3-methyl-8-quinolyl)sulfonylamino]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)NC(CC(=O)NCC3CCCN(C3)C(=N)N)C(=O)N(C4CC4)OC(=O)C

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)NC(CC(=O)NCC3CCCN(C3)C(=N)N)C(=O)N(C4CC4)OC(=O)C

InChI

InChI=1S/C26H35N7O6S/c1-16-11-19-6-3-7-22(24(19)30-13-16)40(37,38)31-21(25(36)33(20-8-9-20)39-17(2)34)12-23(35)29-14-18-5-4-10-32(15-18)26(27)28/h3,6-7,11,13,18,20-21,31H,4-5,8-10,12,14-15H2,1-2H3,(H3,27,28)(H,29,35)