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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-mercapto-2-(tyrosylamino)propanoyl]amino]-4-(methylthio)butyric acid Formula: C17H25N3O5S2 MolecularWeight: 415.5275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5S2/c1-27-7-6-13(17(24)25)19-16(23)14(9-26)20-15(22)12(18)8-10-2-4-11(21)5-3-10/h2-5,12-14,21,26H,6-9,18H2,1H3,(H,19,23)(H,20,22)(H,24,25)