2-[[2-azanyl-4-(phenylmethylsulfanyl)butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-azanyl-4-(phenylmethylsulfanyl)butanoyl]amino]ethanoic acid Openeye Name: 2-[(2-amino-4-benzylsulfanyl-butanoyl)amino]acetic acid CAS Name: 2-[[2-amino-1-oxo-4-(phenylmethylthio)butyl]amino]acetic acid IUPAC Name: 2-[(2-amino-4-benzylsulfanylbutanoyl)amino]acetic acid Traditional Name: 2-[[2-amino-4-(benzylthio)butanoyl]amino]acetic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(C(=O)NCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(C(=O)NCC(=O)O)N

InChI

InChI=1S/C13H18N2O3S/c14-11(13(18)15-8-12(16)17)6-7-19-9-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,18)(H,16,17)