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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-ethoxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-ethoxy-6-phenyl-pyridine-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[(4-ethoxy-6-phenyl-2-pyridinyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-ethoxy-6-phenylpyridine-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-4-[(4-ethoxy-6-phenyl-picolinoyl)amino]-5-keto-valeric acid Formula: C26H32N4O7 MolecularWeight: 512.55488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC(=C1)C(=O)NC(CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCOC1=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/C26H32N4O7/c1-3-36-19-16-21(18-8-6-5-7-9-18)27-22(17-19)24(33)28-20(10-11-23(31)32)25(34)29-12-14-30(15-13-29)26(35)37-4-2/h5-9,16-17,20H,3-4,10-15H2,1-2H3,(H,28,33)(H,31,32)/t20-/m0/s1