(4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[(4-morpholin-4-ylcarbonyloxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[(4-morpholin-4-ylcarbonyloxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[[4-(morpholine-4-carbonyloxy)-6-phenyl-pyridine-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[4-[butoxy(oxo)methyl]-1-piperazinyl]-4-[[[4-[4-morpholinyl(oxo)methoxy]-6-phenyl-2-pyridinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[[4-(morpholine-4-carbonyloxy)-6-phenylpyridine-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-(4-butoxycarbonylpiperazino)-5-keto-4-[[4-(morpholine-4-carbonyloxy)-6-phenyl-picolinoyl]amino]valeric acid Formula: C31H39N5O9 MolecularWeight: 625.66946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)OC(=O)N4CCOCC4

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)OC(=O)N4CCOCC4

InChI

InChI=1S/C31H39N5O9/c1-2-3-17-44-30(41)35-13-11-34(12-14-35)29(40)24(9-10-27(37)38)33-28(39)26-21-23(45-31(42)36-15-18-43-19-16-36)20-25(32-26)22-7-5-4-6-8-22/h4-8,20-21,24H,2-3,9-19H2,1H3,(H,33,39)(H,37,38)/t24-/m0/s1