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

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

Systemtic Name:2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid
Openeye Name:3-benzylsulfanyl-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propanoic acid
CAS Name:2-[[[2-hydroxyethyl(phenethyl)amino]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid
IUPAC Name:3-benzylsulfanyl-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propanoic acid
Traditional Name:3-(benzylthio)-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propionic acid
Formula: C21H26N2O4S
MolecularWeight: 402.50714
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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)


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