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

Systemtic Name: 3-[2-azanyl-4-oxidanyl-3-(3-phenylmethoxybutanoyl)phenyl]-2-[(3-methyl-2-sulfanyl-pentanoyl)amino]propanoic acid Openeye Name: 3-[2-amino-3-(3-benzyloxybutanoyl)-4-hydroxy-phenyl]-2-[(3-methyl-2-sulfanyl-pentanoyl)amino]propanoic acid CAS Name: 3-[2-amino-4-hydroxy-3-(1-oxo-3-phenylmethoxybutyl)phenyl]-2-[(2-mercapto-3-methyl-1-oxopentyl)amino]propanoic acid IUPAC Name: 3-[2-amino-4-hydroxy-3-(3-phenylmethoxybutanoyl)phenyl]-2-[(3-methyl-2-sulfanylpentanoyl)amino]propanoic acid Traditional Name: 3-[2-amino-3-(3-benzoxybutanoyl)-4-hydroxy-phenyl]-2-[(2-mercapto-3-methyl-pentanoyl)amino]propionic acid Formula: C26H34N2O6S MolecularWeight: 502.62296

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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)OCC2=CC=CC=C2)N)C(=O)O)S

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=C(C(=C(C=C1)O)C(=O)CC(C)OCC2=CC=CC=C2)N)C(=O)O)S

InChI

InChI=1S/C26H34N2O6S/c1-4-15(2)24(35)25(31)28-19(26(32)33)13-18-10-11-20(29)22(23(18)27)21(30)12-16(3)34-14-17-8-6-5-7-9-17/h5-11,15-16,19,24,29,35H,4,12-14,27H2,1-3H3,(H,28,31)(H,32,33)