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3-(phenylmethylsulfanyl)-2-(pyrrolidin-2-ylcarbonylamino)propanoic acid

Systemtic Name:	3-(phenylmethylsulfanyl)-2-(pyrrolidin-2-ylcarbonylamino)propanoic acid
Openeye Name:	3-benzylsulfanyl-2-(pyrrolidine-2-carbonylamino)propanoic acid
CAS Name:	2-[[oxo(2-pyrrolidinyl)methyl]amino]-3-(phenylmethylthio)propanoic acid
IUPAC Name:	3-benzylsulfanyl-2-(pyrrolidine-2-carbonylamino)propanoic acid
Traditional Name:	3-(benzylthio)-2-(prolylamino)propionic acid
Formula:	C₁₅H₂₀N₂O₃S
MolecularWeight:	308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H20N2O3S/c18-14(12-7-4-8-16-12)17-13(15(19)20)10-21-9-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,17,18)(H,19,20)

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