2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-benzylsulfanyl-propanoic acid CAS Name: 2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-(benzylthio)propionic acid Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)NC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)NC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H25N3O6S/c26-19(11-24-22(30)31-13-16-7-3-1-4-8-16)23-12-20(27)25-18(21(28)29)15-32-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,23,26)(H,24,30)(H,25,27)(H,28,29)