methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-4-methyl-valeric acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H22N2O3S/c1-11(2)10-13(17(21)22-3)18-15(20)8-9-16-19-12-6-4-5-7-14(12)23-16/h4-7,11,13H,8-10H2,1-3H3,(H,18,20)/t13-/m0/s1