5-[4-[2-fluoranyl-5-[(5-fluoranyl-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]piperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[4-[2-fluoranyl-5-[(5-fluoranyl-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]piperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-[4-[2-fluoro-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-[2-fluoro-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[4-[2-fluoro-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]piperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-[4-[2-fluoro-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]piperazino]-5-keto-valeric acid Formula: C27H32F2N6O5 MolecularWeight: 558.576986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC(=C2)NC3=NCC(CN3)F)F)C(=O)CCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC(=C2)NC3=NCC(CN3)F)F)C(=O)CCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32F2N6O5/c28-19-15-30-26(31-16-19)32-20-6-7-21(29)23(14-20)34-10-12-35(13-11-34)24(36)9-8-22(25(37)38)33-27(39)40-17-18-4-2-1-3-5-18/h1-7,14,19,22H,8-13,15-17H2,(H,33,39)(H,37,38)(H2,30,31,32)