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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid Traditional Name: 3-methyl-2-[[4-(methylthio)-2-(tyrosylamino)butanoyl]amino]butyric acid Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-11(2)16(19(26)27)22-18(25)15(8-9-28-3)21-17(24)14(20)10-12-4-6-13(23)7-5-12/h4-7,11,14-16,23H,8-10,20H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)