2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(tyrosylamino)acetyl]amino]butyric acid Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C16H23N3O5S/c1-25-7-6-13(16(23)24)19-14(21)9-18-15(22)12(17)8-10-2-4-11(20)5-3-10/h2-5,12-13,20H,6-9,17H2,1H3,(H,18,22)(H,19,21)(H,23,24)