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

Systemtic Name: 3-[2-azanyl-3-(3-methoxybutanoyl)-4-oxidanyl-phenyl]-2-[(3-methyl-2-sulfanyl-pentanoyl)amino]propanoic acid Openeye Name: 3-[2-amino-4-hydroxy-3-(3-methoxybutanoyl)phenyl]-2-[(3-methyl-2-sulfanyl-pentanoyl)amino]propanoic acid CAS Name: 3-[2-amino-4-hydroxy-3-(3-methoxy-1-oxobutyl)phenyl]-2-[(2-mercapto-3-methyl-1-oxopentyl)amino]propanoic acid IUPAC Name: 3-[2-amino-4-hydroxy-3-(3-methoxybutanoyl)phenyl]-2-[(3-methyl-2-sulfanylpentanoyl)amino]propanoic acid Traditional Name: 3-[2-amino-4-hydroxy-3-(3-methoxybutanoyl)phenyl]-2-[(2-mercapto-3-methyl-pentanoyl)amino]propionic acid Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=C(C(=C(C=C1)O)C(=O)CC(C)OC)N)C(=O)O)S

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=C(C(=C(C=C1)O)C(=O)CC(C)OC)N)C(=O)O)S

InChI

InChI=1S/C20H30N2O6S/c1-5-10(2)18(29)19(25)22-13(20(26)27)9-12-6-7-14(23)16(17(12)21)15(24)8-11(3)28-4/h6-7,10-11,13,18,23,29H,5,8-9,21H2,1-4H3,(H,22,25)(H,26,27)