(4S)-4-[(4-butoxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[(4-butoxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[(4-butoxy-6-phenyl-pyridine-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(4-butoxy-6-phenyl-2-pyridinyl)-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: (4S)-4-[(4-butoxy-6-phenylpyridine-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (4S)-4-[(4-butoxy-6-phenyl-picolinoyl)amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C28H36N4O7 MolecularWeight: 540.60804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=NC(=C1)C(=O)NC(CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC(=NC(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C28H36N4O7/c1-3-5-17-39-21-18-23(20-9-7-6-8-10-20)29-24(19-21)26(35)30-22(11-12-25(33)34)27(36)31-13-15-32(16-14-31)28(37)38-4-2/h6-10,18-19,22H,3-5,11-17H2,1-2H3,(H,30,35)(H,33,34)/t22-/m0/s1