2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: 3-benzylsulfanyl-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propanoate CAS Name: 2-[[[2-hydroxyethyl(phenethyl)amino]-oxomethyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: 3-benzylsulfanyl-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propanoate Traditional Name: 3-(benzylthio)-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propionate Formula: C21H25N2O4S- MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCO)C(=O)NC(CSCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCO)C(=O)NC(CSCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C21H26N2O4S/c24-14-13-23(12-11-17-7-3-1-4-8-17)21(27)22-19(20(25)26)16-28-15-18-9-5-2-6-10-18/h1-10,19,24H,11-16H2,(H,22,27)(H,25,26)/p-1