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

Systemtic Name: (4S)-5-oxidanylidene-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[(6-phenyl-4-piperidin-1-ylcarbonyl-pyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[[6-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-oxo-4-[[oxo-[4-[oxo(1-piperidinyl)methyl]-6-phenyl-2-pyridinyl]methyl]amino]-5-[4-[oxo(pentoxy)methyl]-1-piperazinyl]pentanoic acid IUPAC Name: (4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[[6-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carbonyl]amino]pentanoic acid Traditional Name: (4S)-5-(4-amoxycarbonylpiperazino)-5-keto-4-[[6-phenyl-4-(piperidine-1-carbonyl)picolinoyl]amino]valeric acid Formula: C33H43N5O7 MolecularWeight: 621.72382

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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)N4CCCCC4

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)N4CCCCC4

InChI

InChI=1S/C33H43N5O7/c1-2-3-10-21-45-33(44)38-19-17-37(18-20-38)32(43)26(13-14-29(39)40)35-30(41)28-23-25(31(42)36-15-8-5-9-16-36)22-27(34-28)24-11-6-4-7-12-24/h4,6-7,11-12,22-23,26H,2-3,5,8-10,13-21H2,1H3,(H,35,41)(H,39,40)/t26-/m0/s1