(3S)-4-[hexanoyl(methyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[hexanoyl(methyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[hexanoyl(methyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: (3S)-4-[methyl(1-oxohexyl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: (3S)-4-[hexanoyl(methyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: (3S)-4-[caproyl(methyl)amino]-4-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C)C(=O)C(CC(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCC(=O)N(C)C(=O)[C@H](CC(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H26N2O6S/c1-3-4-5-10-19(24)23(2)21(27)18(14-20(25)26)22-30(28,29)17-12-11-15-8-6-7-9-16(15)13-17/h6-9,11-13,18,22H,3-5,10,14H2,1-2H3,(H,25,26)/t18-/m0/s1