3-[[3-oxidanyl-3-oxidanylidene-2-(phenylcarbamoylamino)propyl]disulfanyl]-2-(phenylcarbamoylamino)propanoic acid

Systemtic Name: 3-[[3-oxidanyl-3-oxidanylidene-2-(phenylcarbamoylamino)propyl]disulfanyl]-2-(phenylcarbamoylamino)propanoic acid Openeye Name: 3-[[3-hydroxy-3-oxo-2-(phenylcarbamoylamino)propyl]disulfanyl]-2-(phenylcarbamoylamino)propanoic acid CAS Name: 2-[[anilino(oxo)methyl]amino]-3-[[2-[[anilino(oxo)methyl]amino]-3-hydroxy-3-oxopropyl]disulfanyl]propanoic acid IUPAC Name: 3-[[3-hydroxy-3-oxo-2-(phenylcarbamoylamino)propyl]disulfanyl]-2-(phenylcarbamoylamino)propanoic acid Traditional Name: 3-[[3-hydroxy-3-keto-2-(phenylcarbamoylamino)propyl]disulfanyl]-2-(phenylcarbamoylamino)propionic acid Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC(CSSCC(C(=O)O)NC(=O)NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC(CSSCC(C(=O)O)NC(=O)NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H22N4O6S2/c25-17(26)15(23-19(29)21-13-7-3-1-4-8-13)11-31-32-12-16(18(27)28)24-20(30)22-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,25,26)(H,27,28)(H2,21,23,29)(H2,22,24,30)