2-[(6-azanylpyridin-3-yl)methyl]-5-[3-(4-ethoxycarbonylpiperidin-1-yl)carbonylphenyl]-3-sulfanyl-pentanoic acid

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-5-[3-(4-ethoxycarbonylpiperidin-1-yl)carbonylphenyl]-3-sulfanyl-pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-5-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)phenyl]-3-sulfanyl-pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-5-[3-[(4-ethoxycarbonyl-1-piperidinyl)-oxomethyl]phenyl]-3-mercaptopentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-5-[3-(4-ethoxycarbonylpiperidine-1-carbonyl)phenyl]-3-sulfanylpentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-5-[3-(4-carbethoxypiperidine-1-carbonyl)phenyl]-3-mercapto-valeric acid Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)CCC(C(CC3=CN=C(C=C3)N)C(=O)O)S

InChI

InChI=1S/C26H33N3O5S/c1-2-34-26(33)19-10-12-29(13-11-19)24(30)20-5-3-4-17(14-20)6-8-22(35)21(25(31)32)15-18-7-9-23(27)28-16-18/h3-5,7,9,14,16,19,21-22,35H,2,6,8,10-13,15H2,1H3,(H2,27,28)(H,31,32)