2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoic acid Traditional Name: 2-[[4-(methylthio)-2-(tyrosylamino)butanoyl]amino]propionic acid Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CCSC)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CCSC)NC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C17H25N3O5S/c1-10(17(24)25)19-16(23)14(7-8-26-2)20-15(22)13(18)9-11-3-5-12(21)6-4-11/h3-6,10,13-14,21H,7-9,18H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)