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

Systemtic Name: (4S)-4-[(4-butoxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[(4-butoxy-6-phenyl-pyridine-2-carbonyl)amino]-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(4-butoxy-6-phenyl-2-pyridinyl)-oxomethyl]amino]-5-[4-[hexoxy(oxo)methyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (4S)-4-[(4-butoxy-6-phenylpyridine-2-carbonyl)amino]-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (4S)-4-[(4-butoxy-6-phenyl-picolinoyl)amino]-5-(4-hexoxycarbonylpiperazino)-5-keto-valeric acid Formula: C32H44N4O7 MolecularWeight: 596.71436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)OCCCC

Isomeric SMILES

CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)OCCCC

InChI

InChI=1S/C32H44N4O7/c1-3-5-7-11-21-43-32(41)36-18-16-35(17-19-36)31(40)26(14-15-29(37)38)34-30(39)28-23-25(42-20-6-4-2)22-27(33-28)24-12-9-8-10-13-24/h8-10,12-13,22-23,26H,3-7,11,14-21H2,1-2H3,(H,34,39)(H,37,38)/t26-/m0/s1