2-[[4-[(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)amino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopentyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)amino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]-cyclopentyl-amino]ethanoic acid Openeye Name: 2-[[4-[[2-amino-2-imino-1-(3-piperidyl)ethyl]amino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]-cyclopentyl-amino]acetic acid CAS Name: 2-[[4-[[2-amino-2-imino-1-(3-piperidinyl)ethyl]amino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[[4-[(2-amino-2-imino-1-piperidin-3-ylethyl)amino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]-cyclopentylamino]acetic acid Traditional Name: 2-[[4-[[2-amino-2-imino-1-(3-piperidyl)ethyl]amino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]-cyclopentyl-amino]acetic acid Formula: C28H38N6O6S MolecularWeight: 586.70292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC(=O)O)C(=O)C(CC(=O)NC(C2CCCNC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(C1)N(CC(=O)O)C(=O)C(CC(=O)NC(C2CCCNC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H38N6O6S/c29-27(30)26(20-8-5-13-31-16-20)32-24(35)15-23(28(38)34(17-25(36)37)21-9-3-4-10-21)33-41(39,40)22-12-11-18-6-1-2-7-19(18)14-22/h1-2,6-7,11-12,14,20-21,23,26,31,33H,3-5,8-10,13,15-17H2,(H3,29,30)(H,32,35)(H,36,37)