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

Systemtic Name: (4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[(6-cyclopropyl-2-phenyl-pyrimidin-4-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[(6-cyclopropyl-2-phenyl-pyrimidine-4-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[4-[butoxy(oxo)methyl]-1-piperazinyl]-4-[[(6-cyclopropyl-2-phenyl-4-pyrimidinyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[(6-cyclopropyl-2-phenylpyrimidine-4-carbonyl)amino]-5-oxopentanoic acid Traditional Name: (4S)-5-(4-butoxycarbonylpiperazino)-4-[(6-cyclopropyl-2-phenyl-pyrimidine-4-carbonyl)amino]-5-keto-valeric acid Formula: C28H35N5O6 MolecularWeight: 537.6074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)C4CC4

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C28H35N5O6/c1-2-3-17-39-28(38)33-15-13-32(14-16-33)27(37)21(11-12-24(34)35)31-26(36)23-18-22(19-9-10-19)29-25(30-23)20-7-5-4-6-8-20/h4-8,18-19,21H,2-3,9-17H2,1H3,(H,31,36)(H,34,35)/t21-/m0/s1