(2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-4-methyl-valeric acid Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N3O3S/c1-12(2)11-15(18(23)24)21-19(25)22-9-7-13(8-10-22)17-20-14-5-3-4-6-16(14)26-17/h3-6,12-13,15H,7-11H2,1-2H3,(H,21,25)(H,23,24)/t15-/m0/s1