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

Systemtic Name: 2-[[(2S)-2-azanylpropanoyl]amino]-2-(1,3-benzothiazol-2-yl)-2-methoxy-ethanoic acid Openeye Name: 2-[[(2S)-2-aminopropanoyl]amino]-2-(1,3-benzothiazol-2-yl)-2-methoxy-acetic acid CAS Name: 2-[[(2S)-2-amino-1-oxopropyl]amino]-2-(1,3-benzothiazol-2-yl)-2-methoxyacetic acid IUPAC Name: 2-[[(2S)-2-aminopropanoyl]amino]-2-(1,3-benzothiazol-2-yl)-2-methoxyacetic acid Traditional Name: 2-[[(2S)-2-aminopropanoyl]amino]-2-(1,3-benzothiazol-2-yl)-2-methoxy-acetic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c1-7(14)10(17)16-13(20-2,12(18)19)11-15-8-5-3-4-6-9(8)21-11/h3-7H,14H2,1-2H3,(H,16,17)(H,18,19)/t7-,13?/m0/s1