(2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propionic acid Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H23N3O3S/c26-21(27)18(14-15-6-2-1-3-7-15)24-22(28)25-12-10-16(11-13-25)20-23-17-8-4-5-9-19(17)29-20/h1-9,16,18H,10-14H2,(H,24,28)(H,26,27)/t18-/m0/s1