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

Systemtic Name: 2-azanyl-3-[3-(2-azanyl-4-methylsulfanyl-butanoyl)-4-pentanoyl-2-sulfanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(2-amino-4-methylsulfanyl-butanoyl)-4-pentanoyl-2-sulfanyl-phenyl]propanoic acid CAS Name: 2-amino-3-[3-[2-amino-4-(methylthio)-1-oxobutyl]-2-mercapto-4-(1-oxopentyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-amino-4-methylsulfanylbutanoyl)-4-pentanoyl-2-sulfanylphenyl]propanoic acid Traditional Name: 2-amino-3-[3-[2-amino-4-(methylthio)butanoyl]-2-mercapto-4-valeryl-phenyl]propionic acid Formula: C19H28N2O4S2 MolecularWeight: 412.56662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C(=C(C=C1)CC(C(=O)O)N)S)C(=O)C(CCSC)N

Isomeric SMILES

CCCCC(=O)C1=C(C(=C(C=C1)CC(C(=O)O)N)S)C(=O)C(CCSC)N

InChI

InChI=1S/C19H28N2O4S2/c1-3-4-5-15(22)12-7-6-11(10-14(21)19(24)25)18(26)16(12)17(23)13(20)8-9-27-2/h6-7,13-14,26H,3-5,8-10,20-21H2,1-2H3,(H,24,25)