(3S)-4-[3-methoxypropyl(pentanoyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[3-methoxypropyl(pentanoyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[3-methoxypropyl(pentanoyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: (3S)-4-[3-methoxypropyl(1-oxopentyl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: (3S)-4-[3-methoxypropyl(pentanoyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: (3S)-4-keto-4-[3-methoxypropyl(valeryl)amino]-3-(2-naphthylsulfonylamino)butyric acid Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCCOC)C(=O)C(CC(=O)O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O7S/c1-3-4-10-21(26)25(13-7-14-32-2)23(29)20(16-22(27)28)24-33(30,31)19-12-11-17-8-5-6-9-18(17)15-19/h5-6,8-9,11-12,15,20,24H,3-4,7,10,13-14,16H2,1-2H3,(H,27,28)/t20-/m0/s1