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

Systemtic Name: (4S)-4-[(4-morpholin-4-ylcarbonyl-6-phenyl-pyridin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid Openeye Name: (4S)-4-[[4-(morpholine-4-carbonyl)-6-phenyl-pyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid CAS Name: (4S)-4-[[[4-[4-morpholinyl(oxo)methyl]-6-phenyl-2-pyridinyl]-oxomethyl]amino]-5-oxo-5-[4-[oxo(pentoxy)methyl]-1-piperazinyl]pentanoic acid IUPAC Name: (4S)-4-[[4-(morpholine-4-carbonyl)-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid Traditional Name: (4S)-5-(4-amoxycarbonylpiperazino)-5-keto-4-[[4-(morpholine-4-carbonyl)-6-phenyl-picolinoyl]amino]valeric acid Formula: C32H41N5O8 MolecularWeight: 623.69664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H41N5O8/c1-2-3-7-18-45-32(43)37-14-12-35(13-15-37)31(42)25(10-11-28(38)39)34-29(40)27-22-24(30(41)36-16-19-44-20-17-36)21-26(33-27)23-8-5-4-6-9-23/h4-6,8-9,21-22,25H,2-3,7,10-20H2,1H3,(H,34,40)(H,38,39)/t25-/m0/s1