2-[2-[2-azanyl-3-(triphenylmethyl)-1,3-thiazol-3-ium-4-yl]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[2-azanyl-3-(triphenylmethyl)-1,3-thiazol-3-ium-4-yl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(2-amino-3-trityl-thiazol-3-ium-4-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[2-amino-3-(triphenylmethyl)-4-thiazol-3-iumyl]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(2-amino-3-trityl-1,3-thiazol-3-ium-4-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(2-amino-3-trityl-thiazol-3-ium-4-yl)acetyl]amino]-3-phenyl-propionic acid Formula: C33H30N3O3S+ MolecularWeight: 548.6746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC2=CSC(=[N+]2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC2=CSC(=[N+]2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C33H29N3O3S/c34-32-36(28(23-40-32)22-30(37)35-29(31(38)39)21-24-13-5-1-6-14-24)33(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,23,29,34H,21-22H2,(H2,35,37,38,39)/p+1