(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(furan-3-yl)-2-phenyl-pyrimidin-4-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(furan-3-yl)-2-phenyl-pyrimidin-4-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(3-furyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[6-(3-furanyl)-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(furan-3-yl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-4-[[6-(3-furyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-keto-valeric acid Formula: C27H29N5O7 MolecularWeight: 535.54846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC(=NC(=C2)C3=COC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=NC(=NC(=C2)C3=COC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N5O7/c1-2-39-27(37)32-13-11-31(12-14-32)26(36)20(8-9-23(33)34)30-25(35)22-16-21(19-10-15-38-17-19)28-24(29-22)18-6-4-3-5-7-18/h3-7,10,15-17,20H,2,8-9,11-14H2,1H3,(H,30,35)(H,33,34)/t20-/m0/s1