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

Systemtic Name: 2-azanyl-3-[2-(2-azanyl-4-methyl-pentanoyl)-3-(2-azanyl-4-methylsulfanyl-butanoyl)-4-methanoyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[2-(2-amino-4-methyl-pentanoyl)-3-(2-amino-4-methylsulfanyl-butanoyl)-4-formyl-phenyl]propanoic acid CAS Name: 2-amino-3-[2-(2-amino-4-methyl-1-oxopentyl)-3-[2-amino-4-(methylthio)-1-oxobutyl]-4-formylphenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(2-amino-4-methylpentanoyl)-3-(2-amino-4-methylsulfanylbutanoyl)-4-formylphenyl]propanoic acid Traditional Name: 2-amino-3-[2-(2-amino-4-methyl-pentanoyl)-3-[2-amino-4-(methylthio)butanoyl]-4-formyl-phenyl]propionic acid Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=C(C=CC(=C1C(=O)C(CCSC)N)C=O)CC(C(=O)O)N)N

Isomeric SMILES

CC(C)CC(C(=O)C1=C(C=CC(=C1C(=O)C(CCSC)N)C=O)CC(C(=O)O)N)N

InChI

InChI=1S/C21H31N3O5S/c1-11(2)8-15(23)20(27)17-12(9-16(24)21(28)29)4-5-13(10-25)18(17)19(26)14(22)6-7-30-3/h4-5,10-11,14-16H,6-9,22-24H2,1-3H3,(H,28,29)