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

Systemtic Name: (4S)-4-[(6-ethanoyl-2-phenyl-pyrimidin-4-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[(6-acetyl-2-phenyl-pyrimidine-4-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(6-acetyl-2-phenyl-4-pyrimidinyl)-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: (4S)-4-[(6-acetyl-2-phenylpyrimidine-4-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (4S)-4-[(6-acetyl-2-phenyl-pyrimidine-4-carbonyl)amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C25H29N5O7 MolecularWeight: 511.52706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O7/c1-3-37-25(36)30-13-11-29(12-14-30)24(35)18(9-10-21(32)33)28-23(34)20-15-19(16(2)31)26-22(27-20)17-7-5-4-6-8-17/h4-8,15,18H,3,9-14H2,1-2H3,(H,28,34)(H,32,33)/t18-/m0/s1