(4S)-5-(4-octoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoic acid

Systemtic Name: (4S)-5-(4-octoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-octoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid CAS Name: (4S)-5-[4-[octoxy(oxo)methyl]-1-piperazinyl]-5-oxo-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-octoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-keto-5-(4-octoxycarbonylpiperazino)-4-[(6-phenylpicolinoyl)amino]valeric acid Formula: C30H40N4O6 MolecularWeight: 552.6618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N4O6/c1-2-3-4-5-6-10-22-40-30(39)34-20-18-33(19-21-34)29(38)26(16-17-27(35)36)32-28(37)25-15-11-14-24(31-25)23-12-8-7-9-13-23/h7-9,11-15,26H,2-6,10,16-22H2,1H3,(H,32,37)(H,35,36)/t26-/m0/s1