2-azanyl-3-[[1-oxidanylidene-1-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-3-(phenylmethylsulfanyl)propan-2-yl]carbamoyloxy]propanoic acid

Systemtic Name: 2-azanyl-3-[[1-oxidanylidene-1-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-3-(phenylmethylsulfanyl)propan-2-yl]carbamoyloxy]propanoic acid Openeye Name: 2-amino-3-[[1-(benzylsulfanylmethyl)-2-[(2-hydroxy-2-oxo-1-phenyl-ethyl)amino]-2-oxo-ethyl]carbamoyloxy]propanoic acid CAS Name: 2-amino-3-[[[1-[(2-hydroxy-2-oxo-1-phenylethyl)amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-oxomethoxy]propanoic acid IUPAC Name: 2-amino-3-[[3-benzylsulfanyl-1-[(2-hydroxy-2-oxo-1-phenylethyl)amino]-1-oxopropan-2-yl]carbamoyloxy]propanoic acid Traditional Name: 2-amino-3-[[1-[(benzylthio)methyl]-2-[(2-hydroxy-2-keto-1-phenyl-ethyl)amino]-2-keto-ethyl]carbamoyloxy]propionic acid Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NC(C2=CC=CC=C2)C(=O)O)NC(=O)OCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)NC(C2=CC=CC=C2)C(=O)O)NC(=O)OCC(C(=O)O)N

InChI

InChI=1S/C22H25N3O7S/c23-16(20(27)28)11-32-22(31)24-17(13-33-12-14-7-3-1-4-8-14)19(26)25-18(21(29)30)15-9-5-2-6-10-15/h1-10,16-18H,11-13,23H2,(H,24,31)(H,25,26)(H,27,28)(H,29,30)