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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-(methylthio)-2-(tyrosylamino)butanoyl]amino]butyric acid Formula: C19H29N3O5S2 MolecularWeight: 443.58066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S2/c1-28-9-7-15(18(25)22-16(19(26)27)8-10-29-2)21-17(24)14(20)11-12-3-5-13(23)6-4-12/h3-6,14-16,23H,7-11,20H2,1-2H3,(H,21,24)(H,22,25)(H,26,27)