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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoic acid Traditional Name: 3-methyl-2-[[4-(methylthio)-2-(tyrosylamino)butanoyl]amino]valeric acid Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-4-12(2)17(20(27)28)23-19(26)16(9-10-29-3)22-18(25)15(21)11-13-5-7-14(24)8-6-13/h5-8,12,15-17,24H,4,9-11,21H2,1-3H3,(H,22,25)(H,23,26)(H,27,28)