2-[[(2S)-2-azanylpropanoyl]-prop-2-enoxycarbonyl-amino]-2-(1,3-benzothiazol-2-yl)-2-methoxy-ethanoic acid

Systemtic Name: 2-[[(2S)-2-azanylpropanoyl]-prop-2-enoxycarbonyl-amino]-2-(1,3-benzothiazol-2-yl)-2-methoxy-ethanoic acid Openeye Name: 2-[allyloxycarbonyl-[(2S)-2-aminopropanoyl]amino]-2-(1,3-benzothiazol-2-yl)-2-methoxy-acetic acid CAS Name: 2-[[(2S)-2-amino-1-oxopropyl]-[oxo(prop-2-enoxy)methyl]amino]-2-(1,3-benzothiazol-2-yl)-2-methoxyacetic acid IUPAC Name: 2-[[(2S)-2-aminopropanoyl]-prop-2-enoxycarbonylamino]-2-(1,3-benzothiazol-2-yl)-2-methoxyacetic acid Traditional Name: 2-[allyloxycarbonyl-[(2S)-2-aminopropanoyl]amino]-2-(1,3-benzothiazol-2-yl)-2-methoxy-acetic acid Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(=O)OCC=C)C(C1=NC2=CC=CC=C2S1)(C(=O)O)OC)N

Isomeric SMILES

C[C@@H](C(=O)N(C(=O)OCC=C)C(C1=NC2=CC=CC=C2S1)(C(=O)O)OC)N

InChI

InChI=1S/C17H19N3O6S/c1-4-9-26-16(24)20(13(21)10(2)18)17(25-3,15(22)23)14-19-11-7-5-6-8-12(11)27-14/h4-8,10H,1,9,18H2,2-3H3,(H,22,23)/t10-,17?/m0/s1