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

Systemtic Name: (4S)-4-[(4-ethoxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid Openeye Name: (4S)-4-[(4-ethoxy-6-phenyl-pyridine-2-carbonyl)amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid CAS Name: (4S)-4-[[(4-ethoxy-6-phenyl-2-pyridinyl)-oxomethyl]amino]-5-oxo-5-[4-[oxo(pentoxy)methyl]-1-piperazinyl]pentanoic acid IUPAC Name: (4S)-4-[(4-ethoxy-6-phenylpyridine-2-carbonyl)amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid Traditional Name: (4S)-5-(4-amoxycarbonylpiperazino)-4-[(4-ethoxy-6-phenyl-picolinoyl)amino]-5-keto-valeric acid Formula: C29H38N4O7 MolecularWeight: 554.63462

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O7/c1-3-5-9-18-40-29(38)33-16-14-32(15-17-33)28(37)23(12-13-26(34)35)31-27(36)25-20-22(39-4-2)19-24(30-25)21-10-7-6-8-11-21/h6-8,10-11,19-20,23H,3-5,9,12-18H2,1-2H3,(H,31,36)(H,34,35)/t23-/m0/s1