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

Systemtic Name: (4S)-4-[[6-(cyclopentylsulfonylmethyl)-2-phenyl-pyrimidin-4-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[6-(cyclopentylsulfonylmethyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[6-(cyclopentylsulfonylmethyl)-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: (4S)-4-[[6-(cyclopentylsulfonylmethyl)-2-phenylpyrimidine-4-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-4-[[6-(cyclopentylsulfonylmethyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-keto-valeric acid Formula: C29H37N5O8S MolecularWeight: 615.69778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)CS(=O)(=O)C4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)CS(=O)(=O)C4CCCC4

InChI

InChI=1S/C29H37N5O8S/c1-2-42-29(39)34-16-14-33(15-17-34)28(38)23(12-13-25(35)36)32-27(37)24-18-21(19-43(40,41)22-10-6-7-11-22)30-26(31-24)20-8-4-3-5-9-20/h3-5,8-9,18,22-23H,2,6-7,10-17,19H2,1H3,(H,32,37)(H,35,36)/t23-/m0/s1