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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-morpholin-4-yl-6-phenyl-pyridin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-morpholino-6-phenyl-pyridine-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[4-(4-morpholinyl)-6-phenyl-2-pyridinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-morpholin-4-yl-6-phenylpyridine-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-5-keto-4-[(4-morpholino-6-phenyl-picolinoyl)amino]valeric acid Formula: C28H35N5O7 MolecularWeight: 553.6068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C28H35N5O7/c1-2-40-28(38)33-12-10-32(11-13-33)27(37)22(8-9-25(34)35)30-26(36)24-19-21(31-14-16-39-17-15-31)18-23(29-24)20-6-4-3-5-7-20/h3-7,18-19,22H,2,8-17H2,1H3,(H,30,36)(H,34,35)/t22-/m0/s1