2-(carboxymethylsulfanyl)-4-(phenylcarbamoylamino)-2-[2-(phenylcarbamoylamino)ethyl]butanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-(phenylcarbamoylamino)-2-[2-(phenylcarbamoylamino)ethyl]butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-(phenylcarbamoylamino)-2-[2-(phenylcarbamoylamino)ethyl]butanoic acid CAS Name: 4-[[anilino(oxo)methyl]amino]-2-[2-[[anilino(oxo)methyl]amino]ethyl]-2-(carboxymethylthio)butanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-(phenylcarbamoylamino)-2-[2-(phenylcarbamoylamino)ethyl]butanoic acid Traditional Name: 2-(carboxymethylthio)-4-(phenylcarbamoylamino)-2-[2-(phenylcarbamoylamino)ethyl]butyric acid Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NCCC(CCNC(=O)NC2=CC=CC=C2)(C(=O)O)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCCC(CCNC(=O)NC2=CC=CC=C2)(C(=O)O)SCC(=O)O

InChI

InChI=1S/C22H26N4O6S/c27-18(28)15-33-22(19(29)30,11-13-23-20(31)25-16-7-3-1-4-8-16)12-14-24-21(32)26-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,27,28)(H,29,30)(H2,23,25,31)(H2,24,26,32)