2-azanyl-2-[(E)-4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-oxidanylidene-2-phenyl-but-3-en-2-yl]hexanoic acid

Systemtic Name: 2-azanyl-2-[(E)-4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-oxidanylidene-2-phenyl-but-3-en-2-yl]hexanoic acid Openeye Name: 2-amino-2-[(E)-3-(4-cyclopropylthiazol-2-yl)-1-formyl-1-phenyl-allyl]hexanoic acid CAS Name: 2-amino-2-[(E)-4-(4-cyclopropyl-2-thiazolyl)-1-oxo-2-phenylbut-3-en-2-yl]hexanoic acid IUPAC Name: 2-amino-2-[(E)-4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-oxo-2-phenylbut-3-en-2-yl]hexanoic acid Traditional Name: (E)-2-amino-2-butyl-5-(4-cyclopropylthiazol-2-yl)-3-formyl-3-phenyl-pent-4-enoic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)(C(C=CC1=NC(=CS1)C2CC2)(C=O)C3=CC=CC=C3)N

Isomeric SMILES

CCCCC(C(=O)O)(C(/C=C/C1=NC(=CS1)C2CC2)(C=O)C3=CC=CC=C3)N

InChI

InChI=1S/C22H26N2O3S/c1-2-3-12-22(23,20(26)27)21(15-25,17-7-5-4-6-8-17)13-11-19-24-18(14-28-19)16-9-10-16/h4-8,11,13-16H,2-3,9-10,12,23H2,1H3,(H,26,27)/b13-11+