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

Systemtic Name: 2-azanyl-3-[3-(2-azanyl-4-methyl-pentanoyl)-2-ethanethioyl-4-pentanoyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(2-amino-4-methyl-pentanoyl)-2-ethanethioyl-4-pentanoyl-phenyl]propanoic acid CAS Name: 2-amino-3-[3-(2-amino-4-methyl-1-oxopentyl)-4-(1-oxopentyl)-2-(1-sulfanylideneethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-amino-4-methylpentanoyl)-2-ethanethioyl-4-pentanoylphenyl]propanoic acid Traditional Name: 2-amino-3-[3-(2-amino-4-methyl-pentanoyl)-2-thioacetyl-4-valeryl-phenyl]propionic acid Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O4S/c1-5-6-7-18(25)15-9-8-14(11-17(24)22(27)28)19(13(4)29)20(15)21(26)16(23)10-12(2)3/h8-9,12,16-17H,5-7,10-11,23-24H2,1-4H3,(H,27,28)