2-[2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[2-[(2-benzylsulfanylacetyl)amino]ethylamino]acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]ethylamino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-[2-[(2-benzylsulfanylacetyl)amino]ethylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[2-[[2-(benzylthio)acetyl]amino]ethylamino]acetyl]amino]acetic acid Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NCCNCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NCCNCC(=O)NCC(=O)O

InChI

InChI=1S/C15H21N3O4S/c19-13(18-9-15(21)22)8-16-6-7-17-14(20)11-23-10-12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H,17,20)(H,18,19)(H,21,22)