4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-5-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-pentyl-amino]pentanoic acid

Systemtic Name: 4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-5-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-pentyl-amino]pentanoic acid Openeye Name: 4-(2-naphthylsulfonylmethyl)-5-oxo-5-[(2-oxo-2-pyrrolidin-1-yl-ethyl)-pentyl-amino]pentanoic acid CAS Name: 4-(2-naphthalenylsulfonylmethyl)-5-oxo-5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]-pentylamino]pentanoic acid IUPAC Name: 4-(naphthalen-2-ylsulfonylmethyl)-5-oxo-5-[(2-oxo-2-pyrrolidin-1-ylethyl)-pentylamino]pentanoic acid Traditional Name: 5-[amyl-(2-keto-2-pyrrolidino-ethyl)amino]-5-keto-4-(2-naphthylsulfonylmethyl)valeric acid Formula: C27H36N2O6S MolecularWeight: 516.64954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)N1CCCC1)C(=O)C(CCC(=O)O)CS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCN(CC(=O)N1CCCC1)C(=O)C(CCC(=O)O)CS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H36N2O6S/c1-2-3-6-17-29(19-25(30)28-15-7-8-16-28)27(33)23(12-14-26(31)32)20-36(34,35)24-13-11-21-9-4-5-10-22(21)18-24/h4-5,9-11,13,18,23H,2-3,6-8,12,14-17,19-20H2,1H3,(H,31,32)