2-[2-[2-[2-(benzamidomethylsulfanyl)ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[2-[2-(benzamidomethylsulfanyl)ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-[[2-(benzamidomethylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[2-(benzamidomethylthio)-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[[2-(benzamidomethylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[[2-(benzamidomethylthio)acetyl]amino]acetyl]amino]acetyl]amino]acetic acid Formula: C16H20N4O6S MolecularWeight: 396.4182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCSCC(=O)NCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCSCC(=O)NCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C16H20N4O6S/c21-12(17-6-13(22)19-8-15(24)25)7-18-14(23)9-27-10-20-16(26)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,21)(H,18,23)(H,19,22)(H,20,26)(H,24,25)