4-[cyclopropyl(3-phenylmethoxypropyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[cyclopropyl(3-phenylmethoxypropyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-benzyloxypropyl(cyclopropyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: 4-[cyclopropyl(3-phenylmethoxypropyl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: 4-[cyclopropyl(3-phenylmethoxypropyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: 4-[3-benzoxypropyl(cyclopropyl)amino]-4-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCCOCC2=CC=CC=C2)C(=O)C(CC(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC1N(CCCOCC2=CC=CC=C2)C(=O)C(CC(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H30N2O6S/c30-26(31)18-25(28-36(33,34)24-14-11-21-9-4-5-10-22(21)17-24)27(32)29(23-12-13-23)15-6-16-35-19-20-7-2-1-3-8-20/h1-5,7-11,14,17,23,25,28H,6,12-13,15-16,18-19H2,(H,30,31)