[[2-[4-azanyl-4-azanylidene-2-(naphthalen-1-ylsulfonylamino)-2-(piperidin-3-ylmethylcarbamoyl)butanoyl]cyclopropyl]amino] ethanoate

Systemtic Name: [[2-[4-azanyl-4-azanylidene-2-(naphthalen-1-ylsulfonylamino)-2-(piperidin-3-ylmethylcarbamoyl)butanoyl]cyclopropyl]amino] ethanoate Openeye Name: [[2-[4-amino-4-imino-2-(1-naphthylsulfonylamino)-2-(3-piperidylmethylcarbamoyl)butanoyl]cyclopropyl]amino] acetate CAS Name: acetic acid [[2-[4-amino-4-imino-2-(1-naphthalenylsulfonylamino)-1-oxo-2-[oxo-(3-piperidinylmethylamino)methyl]butyl]cyclopropyl]amino] ester IUPAC Name: [[2-[4-amino-4-imino-2-(naphthalen-1-ylsulfonylamino)-2-(piperidin-3-ylmethylcarbamoyl)butanoyl]cyclopropyl]amino] acetate Traditional Name: acetic acid [[2-[4-amino-4-imino-2-(1-naphthylsulfonylamino)-2-(3-piperidylmethylcarbamoyl)butanoyl]cyclopropyl]amino] ester Formula: C26H34N6O6S MolecularWeight: 558.64976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ONC1CC1C(=O)C(CC(=N)N)(C(=O)NCC2CCCNC2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)ONC1CC1C(=O)C(CC(=N)N)(C(=O)NCC2CCCNC2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H34N6O6S/c1-16(33)38-31-21-12-20(21)24(34)26(13-23(27)28,25(35)30-15-17-6-5-11-29-14-17)32-39(36,37)22-10-4-8-18-7-2-3-9-19(18)22/h2-4,7-10,17,20-21,29,31-32H,5-6,11-15H2,1H3,(H3,27,28)(H,30,35)