2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl-[[4-[1-[(4-heptan-4-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]methyl]amino]ethanoic acid

Systemtic Name: 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl-[[4-[1-[(4-heptan-4-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]methyl]amino]ethanoic acid Openeye Name: 2-[(4-tert-butylthiazol-2-yl)methyl-[[4-[1-[[4-(1-propylbutyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]thiazol-2-yl]methyl]amino]acetic acid CAS Name: 2-[(4-tert-butyl-2-thiazolyl)methyl-[[4-[1-[(4-heptan-4-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-thiazolyl]methyl]amino]acetic acid IUPAC Name: 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl-[[4-[1-[(4-heptan-4-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]methyl]amino]acetic acid Traditional Name: 2-[(4-tert-butylthiazol-2-yl)methyl-[[4-[1-[4-(1-propylbutyl)benzyl]-3,4-dihydro-2H-quinolin-6-yl]thiazol-2-yl]methyl]amino]acetic acid Formula: C37H48N4O2S2 MolecularWeight: 644.93262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)CN2CCCC3=C2C=CC(=C3)C4=CSC(=N4)CN(CC5=NC(=CS5)C(C)(C)C)CC(=O)O

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)CN2CCCC3=C2C=CC(=C3)C4=CSC(=N4)CN(CC5=NC(=CS5)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C37H48N4O2S2/c1-6-9-27(10-7-2)28-14-12-26(13-15-28)20-41-18-8-11-30-19-29(16-17-32(30)41)31-24-44-34(38-31)21-40(23-36(42)43)22-35-39-33(25-45-35)37(3,4)5/h12-17,19,24-25,27H,6-11,18,20-23H2,1-5H3,(H,42,43)