2-[[1,3-bis(phenylmethylsulfanyl)propan-2-yl-phenethyl-carbamoyl]amino]-3-phenyl-propanoate

Systemtic Name: 2-[[1,3-bis(phenylmethylsulfanyl)propan-2-yl-phenethyl-carbamoyl]amino]-3-phenyl-propanoate Openeye Name: 2-[[[2-benzylsulfanyl-1-(benzylsulfanylmethyl)ethyl]-phenethyl-carbamoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1,3-bis(phenylmethylthio)propan-2-yl-phenethylamino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: 2-[[1,3-bis(benzylsulfanyl)propan-2-yl-phenethylcarbamoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[[2-(benzylthio)-1-[(benzylthio)methyl]ethyl]-phenethyl-carbamoyl]amino]-3-phenyl-propionate Formula: C35H37N2O3S2- MolecularWeight: 597.80988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C(CSCC2=CC=CC=C2)CSCC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(C(CSCC2=CC=CC=C2)CSCC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C35H38N2O3S2/c38-34(39)33(23-29-15-7-2-8-16-29)36-35(40)37(22-21-28-13-5-1-6-14-28)32(26-41-24-30-17-9-3-10-18-30)27-42-25-31-19-11-4-12-20-31/h1-20,32-33H,21-27H2,(H,36,40)(H,38,39)/p-1