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

Systemtic Name: 2-[[(2S)-2-azanylpropanoyl]-phenylmethoxycarbonyl-amino]-2-(1,3-benzothiazol-2-yl)-2-methoxy-ethanoic acid Openeye Name: 2-[[(2S)-2-aminopropanoyl]-benzyloxycarbonyl-amino]-2-(1,3-benzothiazol-2-yl)-2-methoxy-acetic acid CAS Name: 2-[[(2S)-2-amino-1-oxopropyl]-phenylmethoxycarbonylamino]-2-(1,3-benzothiazol-2-yl)-2-methoxyacetic acid IUPAC Name: 2-[[(2S)-2-aminopropanoyl]-phenylmethoxycarbonylamino]-2-(1,3-benzothiazol-2-yl)-2-methoxyacetic acid Traditional Name: 2-[[(2S)-2-aminopropanoyl]-carbobenzoxy-amino]-2-(1,3-benzothiazol-2-yl)-2-methoxy-acetic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(=O)OCC1=CC=CC=C1)C(C2=NC3=CC=CC=C3S2)(C(=O)O)OC)N

Isomeric SMILES

C[C@@H](C(=O)N(C(=O)OCC1=CC=CC=C1)C(C2=NC3=CC=CC=C3S2)(C(=O)O)OC)N

InChI

InChI=1S/C21H21N3O6S/c1-13(22)17(25)24(20(28)30-12-14-8-4-3-5-9-14)21(29-2,19(26)27)18-23-15-10-6-7-11-16(15)31-18/h3-11,13H,12,22H2,1-2H3,(H,26,27)/t13-,21?/m0/s1