N-[3-methyl-1-[[(3S,4R)-3-methyl-2-oxidanylidene-4-phenoxy-azetidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-5-oxidanylidene-5-(4-piperazin-1-ylpyrimidin-2-yl)pentanamide

Systemtic Name: N-[3-methyl-1-[[(3S,4R)-3-methyl-2-oxidanylidene-4-phenoxy-azetidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-5-oxidanylidene-5-(4-piperazin-1-ylpyrimidin-2-yl)pentanamide Openeye Name: N-[2-methyl-1-[[(3S,4R)-3-methyl-2-oxo-4-phenoxy-azetidin-3-yl]carbamoyl]propyl]-5-oxo-5-(4-piperazin-1-ylpyrimidin-2-yl)pentanamide CAS Name: N-[3-methyl-1-[[(3S,4R)-3-methyl-2-oxo-4-phenoxy-3-azetidinyl]amino]-1-oxobutan-2-yl]-5-oxo-5-[4-(1-piperazinyl)-2-pyrimidinyl]pentanamide IUPAC Name: N-[3-methyl-1-[[(3S,4R)-3-methyl-2-oxo-4-phenoxyazetidin-3-yl]amino]-1-oxobutan-2-yl]-5-oxo-5-(4-piperazin-1-ylpyrimidin-2-yl)pentanamide Traditional Name: 5-keto-N-[1-[[(3S,4R)-2-keto-3-methyl-4-phenoxy-azetidin-3-yl]carbamoyl]-2-methyl-propyl]-5-(4-piperazinopyrimidin-2-yl)valeramide Formula: C28H37N7O5 MolecularWeight: 551.63728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(C(NC1=O)OC2=CC=CC=C2)C)NC(=O)CCCC(=O)C3=NC=CC(=N3)N4CCNCC4

Isomeric SMILES

CC(C)C(C(=O)N[C@]1([C@H](NC1=O)OC2=CC=CC=C2)C)NC(=O)CCCC(=O)C3=NC=CC(=N3)N4CCNCC4

InChI

InChI=1S/C28H37N7O5/c1-18(2)23(25(38)34-28(3)26(39)33-27(28)40-19-8-5-4-6-9-19)32-22(37)11-7-10-20(36)24-30-13-12-21(31-24)35-16-14-29-15-17-35/h4-6,8-9,12-13,18,23,27,29H,7,10-11,14-17H2,1-3H3,(H,32,37)(H,33,39)(H,34,38)/t23?,27-,28-/m1/s1