2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[2-methyl-5-(phenylmethyl)-1,3-thiazol-4-yl]propanoic acid

Systemtic Name: 2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[2-methyl-5-(phenylmethyl)-1,3-thiazol-4-yl]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-(5-benzyl-2-methyl-thiazol-4-yl)propanoic acid CAS Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[2-methyl-5-(phenylmethyl)-4-thiazolyl]propanoic acid IUPAC Name: 3-(5-benzyl-2-methyl-1,3-thiazol-4-yl)-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-(5-benzyl-2-methyl-thiazol-4-yl)propionic acid Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)CC2=CC=CC=C2)CC(C(=O)O)NC(CC(C)C)C(=O)C

Isomeric SMILES

CC1=NC(=C(S1)CC2=CC=CC=C2)CC(C(=O)O)NC(CC(C)C)C(=O)C

InChI

InChI=1S/C21H28N2O3S/c1-13(2)10-17(14(3)24)23-19(21(25)26)12-18-20(27-15(4)22-18)11-16-8-6-5-7-9-16/h5-9,13,17,19,23H,10-12H2,1-4H3,(H,25,26)