(3S)-3-azanyl-4-[(2-ethylphenyl)carbonyl-naphthalen-2-ylsulfonyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[(2-ethylphenyl)carbonyl-naphthalen-2-ylsulfonyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[(2-ethylbenzoyl)-(2-naphthylsulfonyl)amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2-ethylphenyl)-oxomethyl]-(2-naphthalenylsulfonyl)amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[(2-ethylbenzoyl)-naphthalen-2-ylsulfonylamino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[(2-ethylbenzoyl)-(2-naphthylsulfonyl)amino]-4-keto-butyric acid Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)N(C(=O)C(CC(=O)O)N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC1=CC=CC=C1C(=O)N(C(=O)[C@H](CC(=O)O)N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H22N2O6S/c1-2-15-7-5-6-10-19(15)22(28)25(23(29)20(24)14-21(26)27)32(30,31)18-12-11-16-8-3-4-9-17(16)13-18/h3-13,20H,2,14,24H2,1H3,(H,26,27)/t20-/m0/s1