2-[1H-benzimidazol-2-ylmethyl-[[4-[4-[[(4-heptan-4-ylphenyl)-propan-2-yl-amino]methyl]phenyl]-1,3-thiazol-2-yl]methyl]amino]ethanoic acid

Systemtic Name: 2-[1H-benzimidazol-2-ylmethyl-[[4-[4-[[(4-heptan-4-ylphenyl)-propan-2-yl-amino]methyl]phenyl]-1,3-thiazol-2-yl]methyl]amino]ethanoic acid Openeye Name: 2-[1H-benzimidazol-2-ylmethyl-[[4-[4-[[N-isopropyl-4-(1-propylbutyl)anilino]methyl]phenyl]thiazol-2-yl]methyl]amino]acetic acid CAS Name: 2-[1H-benzimidazol-2-ylmethyl-[[4-[4-[(4-heptan-4-yl-N-propan-2-ylanilino)methyl]phenyl]-2-thiazolyl]methyl]amino]acetic acid IUPAC Name: 2-[1H-benzimidazol-2-ylmethyl-[[4-[4-[(4-heptan-4-yl-N-propan-2-ylanilino)methyl]phenyl]-1,3-thiazol-2-yl]methyl]amino]acetic acid Traditional Name: 2-[1H-benzimidazol-2-ylmethyl-[[4-[4-[[N-isopropyl-4-(1-propylbutyl)anilino]methyl]phenyl]thiazol-2-yl]methyl]amino]acetic acid Formula: C37H45N5O2S MolecularWeight: 623.8505

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C3=CSC(=N3)CN(CC4=NC5=CC=CC=C5N4)CC(=O)O)C(C)C

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C3=CSC(=N3)CN(CC4=NC5=CC=CC=C5N4)CC(=O)O)C(C)C

InChI

InChI=1S/C37H45N5O2S/c1-5-9-28(10-6-2)29-17-19-31(20-18-29)42(26(3)4)21-27-13-15-30(16-14-27)34-25-45-36(40-34)23-41(24-37(43)44)22-35-38-32-11-7-8-12-33(32)39-35/h7-8,11-20,25-26,28H,5-6,9-10,21-24H2,1-4H3,(H,38,39)(H,43,44)