methyl (2S,3S)-3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]pentanoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]pentanoate Openeye Name: methyl (2S,3S)-3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]valeric acid methyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

InChI

InChI=1S/C19H21N3O3S/c1-4-12(2)16(18(24)25-3)21-17(23)13-7-8-14-15(11-13)26-19(20-14)22-9-5-6-10-22/h5-12,16H,4H2,1-3H3,(H,21,23)/t12-,16-/m0/s1