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

Systemtic Name: 2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[2-(phenylmethyl)-1,3-thiazol-4-yl]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-(2-benzylthiazol-4-yl)propanoic acid CAS Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[2-(phenylmethyl)-4-thiazolyl]propanoic acid IUPAC Name: 3-(2-benzyl-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-(2-benzylthiazol-4-yl)propionic acid Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(CC1=CSC(=N1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)C)NC(CC1=CSC(=N1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H26N2O3S/c1-13(2)9-17(14(3)23)22-18(20(24)25)11-16-12-26-19(21-16)10-15-7-5-4-6-8-15/h4-8,12-13,17-18,22H,9-11H2,1-3H3,(H,24,25)