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

Systemtic Name: (4S)-4-[(6-cyclopentylsulfanyl-2-phenyl-pyrimidin-4-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[(6-cyclopentylsulfanyl-2-phenyl-pyrimidine-4-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[6-(cyclopentylthio)-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: (4S)-4-[(6-cyclopentylsulfanyl-2-phenylpyrimidine-4-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-4-[[6-(cyclopentylthio)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-keto-valeric acid Formula: C28H35N5O6S MolecularWeight: 569.6724

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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)SC4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)SC4CCCC4

InChI

InChI=1S/C28H35N5O6S/c1-2-39-28(38)33-16-14-32(15-17-33)27(37)21(12-13-24(34)35)30-26(36)22-18-23(40-20-10-6-7-11-20)31-25(29-22)19-8-4-3-5-9-19/h3-5,8-9,18,20-21H,2,6-7,10-17H2,1H3,(H,30,36)(H,34,35)/t21-/m0/s1