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

Systemtic Name: (4S)-5-oxidanylidene-4-[(6-phenyl-4-piperidin-4-yloxy-pyridin-2-yl)carbonylamino]-5-(4-propan-2-yloxycarbonylpiperazin-1-yl)pentanoic acid Openeye Name: (4S)-5-(4-isopropoxycarbonylpiperazin-1-yl)-5-oxo-4-[[6-phenyl-4-(4-piperidyloxy)pyridine-2-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-oxo-4-[[oxo-[6-phenyl-4-(4-piperidinyloxy)-2-pyridinyl]methyl]amino]-5-[4-[oxo(propan-2-yloxy)methyl]-1-piperazinyl]pentanoic acid IUPAC Name: (4S)-5-oxo-4-[(6-phenyl-4-piperidin-4-yloxypyridine-2-carbonyl)amino]-5-(4-propan-2-yloxycarbonylpiperazin-1-yl)pentanoic acid Traditional Name: (4S)-5-(4-isopropoxycarbonylpiperazino)-5-keto-4-[[6-phenyl-4-(4-piperidyloxy)picolinoyl]amino]valeric acid Formula: C30H39N5O7 MolecularWeight: 581.65996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)OC4CCNCC4

Isomeric SMILES

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

InChI

InChI=1S/C30H39N5O7/c1-20(2)41-30(40)35-16-14-34(15-17-35)29(39)24(8-9-27(36)37)33-28(38)26-19-23(42-22-10-12-31-13-11-22)18-25(32-26)21-6-4-3-5-7-21/h3-7,18-20,22,24,31H,8-17H2,1-2H3,(H,33,38)(H,36,37)/t24-/m0/s1