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

Systemtic Name: 2-azanyl-3-[2-(2-azanyl-4-methyl-pentanoyl)-3-(2-azanyl-4-methylsulfanyl-butanoyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[2-(2-amino-4-methyl-pentanoyl)-3-(2-amino-4-methylsulfanyl-butanoyl)phenyl]propanoic acid CAS Name: 2-amino-3-[2-(2-amino-4-methyl-1-oxopentyl)-3-[2-amino-4-(methylthio)-1-oxobutyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(2-amino-4-methylpentanoyl)-3-(2-amino-4-methylsulfanylbutanoyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[2-(2-amino-4-methyl-pentanoyl)-3-[2-amino-4-(methylthio)butanoyl]phenyl]propionic acid Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=C(C=CC=C1CC(C(=O)O)N)C(=O)C(CCSC)N)N

Isomeric SMILES

CC(C)CC(C(=O)C1=C(C=CC=C1CC(C(=O)O)N)C(=O)C(CCSC)N)N

InChI

InChI=1S/C20H31N3O4S/c1-11(2)9-15(22)19(25)17-12(10-16(23)20(26)27)5-4-6-13(17)18(24)14(21)7-8-28-3/h4-6,11,14-16H,7-10,21-23H2,1-3H3,(H,26,27)