2-[[1,3-bis(sulfanyl)propan-2-yl-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1,3-bis(sulfanyl)propan-2-yl-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[phenethyl-[2-sulfanyl-1-(sulfanylmethyl)ethyl]carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1,3-dimercaptopropan-2-yl(phenethyl)amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1,3-bis(sulfanyl)propan-2-yl-phenethylcarbamoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[[2-mercapto-1-(mercaptomethyl)ethyl]-phenethyl-carbamoyl]amino]-3-phenyl-propionic acid Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C(CS)CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(C(CS)CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26N2O3S2/c24-20(25)19(13-17-9-5-2-6-10-17)22-21(26)23(18(14-27)15-28)12-11-16-7-3-1-4-8-16/h1-10,18-19,27-28H,11-15H2,(H,22,26)(H,24,25)