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

Systemtic Name: (2S,3S)-3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]pentanoate Openeye Name: (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]pentanoate IUPAC Name: (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]valerate Formula: C18H18N3O3S- MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-3-11(2)15(17(23)24)20-16(22)12-6-7-13-14(10-12)25-18(19-13)21-8-4-5-9-21/h4-11,15H,3H2,1-2H3,(H,20,22)(H,23,24)/p-1/t11-,15-/m0/s1