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

Systemtic Name: (4S)-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenyl-4-piperidin-4-yloxy-pyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxo-4-[[6-phenyl-4-(4-piperidyloxy)pyridine-2-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-[4-[hexoxy(oxo)methyl]-1-piperazinyl]-5-oxo-4-[[oxo-[6-phenyl-4-(4-piperidinyloxy)-2-pyridinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-hexoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenyl-4-piperidin-4-yloxypyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-hexoxycarbonylpiperazino)-5-keto-4-[[6-phenyl-4-(4-piperidyloxy)picolinoyl]amino]valeric acid Formula: C33H45N5O7 MolecularWeight: 623.7397

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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)OC4CCNCC4

Isomeric SMILES

CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)OC4CCNCC4

InChI

InChI=1S/C33H45N5O7/c1-2-3-4-8-21-44-33(43)38-19-17-37(18-20-38)32(42)27(11-12-30(39)40)36-31(41)29-23-26(45-25-13-15-34-16-14-25)22-28(35-29)24-9-6-5-7-10-24/h5-7,9-10,22-23,25,27,34H,2-4,8,11-21H2,1H3,(H,36,41)(H,39,40)/t27-/m0/s1