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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(4-methylsulfonylphenyl)-2-phenyl-pyrimidin-4-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(4-methylsulfonylphenyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[6-(4-methylsulfonylphenyl)-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(4-methylsulfonylphenyl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-5-keto-4-[[6-(4-mesylphenyl)-2-phenyl-pyrimidine-4-carbonyl]amino]valeric acid Formula: C30H33N5O8S MolecularWeight: 623.67672

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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)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H33N5O8S/c1-3-43-30(40)35-17-15-34(16-18-35)29(39)23(13-14-26(36)37)33-28(38)25-19-24(20-9-11-22(12-10-20)44(2,41)42)31-27(32-25)21-7-5-4-6-8-21/h4-12,19,23H,3,13-18H2,1-2H3,(H,33,38)(H,36,37)/t23-/m0/s1