2-[(E)-1-azanyl-4-(4-cyclopropyl-1,3-thiazol-2-yl)-2-oxidanylidene-1-phenyl-but-3-enyl]-2-hexyl-octanoic acid

Systemtic Name: 2-[(E)-1-azanyl-4-(4-cyclopropyl-1,3-thiazol-2-yl)-2-oxidanylidene-1-phenyl-but-3-enyl]-2-hexyl-octanoic acid Openeye Name: 2-[(E)-1-amino-4-(4-cyclopropylthiazol-2-yl)-2-oxo-1-phenyl-but-3-enyl]-2-hexyl-octanoic acid CAS Name: 2-[(E)-1-amino-4-(4-cyclopropyl-2-thiazolyl)-2-oxo-1-phenylbut-3-enyl]-2-hexyloctanoic acid IUPAC Name: 2-[(E)-1-amino-4-(4-cyclopropyl-1,3-thiazol-2-yl)-2-oxo-1-phenylbut-3-enyl]-2-hexyloctanoic acid Traditional Name: (E)-3-amino-6-(4-cyclopropylthiazol-2-yl)-2,2-dihexyl-4-keto-3-phenyl-hex-5-enoic acid Formula: C30H42N2O3S MolecularWeight: 510.73108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)(C(=O)O)C(C1=CC=CC=C1)(C(=O)C=CC2=NC(=CS2)C3CC3)N

Isomeric SMILES

CCCCCCC(CCCCCC)(C(=O)O)C(C1=CC=CC=C1)(C(=O)/C=C/C2=NC(=CS2)C3CC3)N

InChI

InChI=1S/C30H42N2O3S/c1-3-5-7-12-20-29(28(34)35,21-13-8-6-4-2)30(31,24-14-10-9-11-15-24)26(33)18-19-27-32-25(22-36-27)23-16-17-23/h9-11,14-15,18-19,22-23H,3-8,12-13,16-17,20-21,31H2,1-2H3,(H,34,35)/b19-18+