2-[4-[[(4-heptan-4-ylphenyl)-propan-2-yl-amino]methyl]phenyl]-2-[(2-oxidanylidene-2-piperidin-1-yl-ethyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid

Systemtic Name: 2-[4-[[(4-heptan-4-ylphenyl)-propan-2-yl-amino]methyl]phenyl]-2-[(2-oxidanylidene-2-piperidin-1-yl-ethyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid Openeye Name: 2-[4-[[N-isopropyl-4-(1-propylbutyl)anilino]methyl]phenyl]-2-[[2-oxo-2-(1-piperidyl)ethyl]amino]-3-thiazol-2-yl-propanoic acid CAS Name: 2-[4-[(4-heptan-4-yl-N-propan-2-ylanilino)methyl]phenyl]-2-[[2-oxo-2-(1-piperidinyl)ethyl]amino]-3-(2-thiazolyl)propanoic acid IUPAC Name: 2-[4-[(4-heptan-4-yl-N-propan-2-ylanilino)methyl]phenyl]-2-[(2-oxo-2-piperidin-1-ylethyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid Traditional Name: 2-[4-[[N-isopropyl-4-(1-propylbutyl)anilino]methyl]phenyl]-2-[(2-keto-2-piperidino-ethyl)amino]-3-thiazol-2-yl-propionic acid Formula: C36H50N4O3S MolecularWeight: 618.8722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(CC3=NC=CS3)(C(=O)O)NCC(=O)N4CCCCC4)C(C)C

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(CC3=NC=CS3)(C(=O)O)NCC(=O)N4CCCCC4)C(C)C

InChI

InChI=1S/C36H50N4O3S/c1-5-10-29(11-6-2)30-14-18-32(19-15-30)40(27(3)4)26-28-12-16-31(17-13-28)36(35(42)43,24-33-37-20-23-44-33)38-25-34(41)39-21-8-7-9-22-39/h12-20,23,27,29,38H,5-11,21-22,24-26H2,1-4H3,(H,42,43)