(3S)-4-oxidanylidene-4-(phenethylamino)-3-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid

Systemtic Name: (3S)-4-oxidanylidene-4-(phenethylamino)-3-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid Openeye Name: (3S)-4-oxo-4-(phenethylamino)-3-[[(E)-styryl]sulfonylamino]butanoic acid CAS Name: (3S)-4-oxo-4-(phenethylamino)-3-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid IUPAC Name: (3S)-4-oxo-4-(phenethylamino)-3-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid Traditional Name: (3S)-4-keto-4-(phenethylamino)-3-[[(E)-styryl]sulfonylamino]butyric acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CC(=O)O)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)[C@H](CC(=O)O)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5S/c23-19(24)15-18(20(25)21-13-11-16-7-3-1-4-8-16)22-28(26,27)14-12-17-9-5-2-6-10-17/h1-10,12,14,18,22H,11,13,15H2,(H,21,25)(H,23,24)/b14-12+/t18-/m0/s1