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

Systemtic Name: 2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-12(2)10-16(22-18(25)15(21)8-9-29-3)19(26)23-17(20(27)28)11-13-4-6-14(24)7-5-13/h4-7,12,15-17,24H,8-11,21H2,1-3H3,(H,22,25)(H,23,26)(H,27,28)