(2S)-2-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[2-[2-(4-methoxyphenyl)thiazol-4-yl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[2-(4-methoxyphenyl)-4-thiazolyl]-1-oxoethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[2-(4-methoxyphenyl)thiazol-4-yl]acetyl]amino]-4-methyl-valerate Formula: C18H21N2O4S- MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CC1=CSC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)CC1=CSC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22N2O4S/c1-11(2)8-15(18(22)23)20-16(21)9-13-10-25-17(19-13)12-4-6-14(24-3)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3,(H,20,21)(H,22,23)/p-1/t15-/m0/s1