(E)-2-azanyl-5-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methanoyl-3-phenyl-2-prop-2-enyl-pent-4-enoic acid

Systemtic Name: (E)-2-azanyl-5-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methanoyl-3-phenyl-2-prop-2-enyl-pent-4-enoic acid Openeye Name: (E)-2-allyl-2-amino-5-(4-cyclobutylthiazol-2-yl)-3-formyl-3-phenyl-pent-4-enoic acid CAS Name: (E)-2-amino-5-(4-cyclobutyl-2-thiazolyl)-3-formyl-3-phenyl-2-prop-2-enyl-4-pentenoic acid IUPAC Name: (E)-2-amino-5-(4-cyclobutyl-1,3-thiazol-2-yl)-3-formyl-3-phenyl-2-prop-2-enylpent-4-enoic acid Traditional Name: (E)-2-allyl-2-amino-5-(4-cyclobutylthiazol-2-yl)-3-formyl-3-phenyl-pent-4-enoic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(=O)O)(C(C=CC1=NC(=CS1)C2CCC2)(C=O)C3=CC=CC=C3)N

Isomeric SMILES

C=CCC(C(=O)O)(C(/C=C/C1=NC(=CS1)C2CCC2)(C=O)C3=CC=CC=C3)N

InChI

InChI=1S/C22H24N2O3S/c1-2-12-22(23,20(26)27)21(15-25,17-9-4-3-5-10-17)13-11-19-24-18(14-28-19)16-7-6-8-16/h2-5,9-11,13-16H,1,6-8,12,23H2,(H,26,27)/b13-11+