2-[[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)-methyl-amino]methyl]phenyl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)-methyl-amino]methyl]phenyl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[[(4,5-dimethylthiazol-2-yl)-methyl-amino]methyl]benzoyl]-methyl-amino]acetic acid CAS Name: 2-[[[4-[[(4,5-dimethyl-2-thiazolyl)-methylamino]methyl]phenyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]methyl]benzoyl]-methylamino]acetic acid Traditional Name: 2-[[4-[[(4,5-dimethylthiazol-2-yl)-methyl-amino]methyl]benzoyl]-methyl-amino]acetic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N(C)CC2=CC=C(C=C2)C(=O)N(C)CC(=O)O)C

Isomeric SMILES

CC1=C(SC(=N1)N(C)CC2=CC=C(C=C2)C(=O)N(C)CC(=O)O)C

InChI

InChI=1S/C17H21N3O3S/c1-11-12(2)24-17(18-11)20(4)9-13-5-7-14(8-6-13)16(23)19(3)10-15(21)22/h5-8H,9-10H2,1-4H3,(H,21,22)