(4S)-5-(4-but-3-ynoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoic acid

Systemtic Name: (4S)-5-(4-but-3-ynoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-but-3-ynoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid CAS Name: (4S)-5-[4-[but-3-ynoxy(oxo)methyl]-1-piperazinyl]-5-oxo-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-but-3-ynoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-but-3-ynoxycarbonylpiperazino)-5-keto-4-[(6-phenylpicolinoyl)amino]valeric acid Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O6/c1-2-3-18-36-26(35)30-16-14-29(15-17-30)25(34)22(12-13-23(31)32)28-24(33)21-11-7-10-20(27-21)19-8-5-4-6-9-19/h1,4-11,22H,3,12-18H2,(H,28,33)(H,31,32)/t22-/m0/s1