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

Systemtic Name: 2-azanyl-3-[3-(2-azanyl-4-methyl-pentanoyl)-4-pentanoyl-2-sulfanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(2-amino-4-methyl-pentanoyl)-4-pentanoyl-2-sulfanyl-phenyl]propanoic acid CAS Name: 2-amino-3-[3-(2-amino-4-methyl-1-oxopentyl)-2-mercapto-4-(1-oxopentyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-amino-4-methylpentanoyl)-4-pentanoyl-2-sulfanylphenyl]propanoic acid Traditional Name: 2-amino-3-[3-(2-amino-4-methyl-pentanoyl)-2-mercapto-4-valeryl-phenyl]propionic acid Formula: C20H30N2O4S MolecularWeight: 394.5282

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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(CC(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4S/c1-4-5-6-16(23)13-8-7-12(10-15(22)20(25)26)19(27)17(13)18(24)14(21)9-11(2)3/h7-8,11,14-15,27H,4-6,9-10,21-22H2,1-3H3,(H,25,26)