N-[(2S)-1-[[(3S)-1-[3-(6-azanyl-2-methyl-purin-9-yl)propylamino]-1,2-bis(oxidanylidene)pentan-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]piperidine-1-carboxamide

Systemtic Name: N-[(2S)-1-[[(3S)-1-[3-(6-azanyl-2-methyl-purin-9-yl)propylamino]-1,2-bis(oxidanylidene)pentan-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]piperidine-1-carboxamide Openeye Name: N-[(1S)-1-[[(1S)-3-[3-(6-amino-2-methyl-purin-9-yl)propylamino]-1-ethyl-2,3-dioxo-propyl]carbamoyl]-2-methyl-propyl]piperidine-1-carboxamide CAS Name: N-[(2S)-1-[[(3S)-1-[3-(6-amino-2-methyl-9-purinyl)propylamino]-1,2-dioxopentan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]-1-piperidinecarboxamide IUPAC Name: N-[(2S)-1-[[(3S)-1-[3-(6-amino-2-methylpurin-9-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]piperidine-1-carboxamide Traditional Name: N-[(1S)-1-[[(1S)-3-[3-(6-amino-2-methyl-purin-9-yl)propylamino]-1-ethyl-2,3-diketo-propyl]carbamoyl]-2-methyl-propyl]piperidine-1-carboxamide Formula: C25H39N9O4 MolecularWeight: 529.63506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=O)NCCCN1C=NC2=C1N=C(N=C2N)C)NC(=O)C(C(C)C)NC(=O)N3CCCCC3

Isomeric SMILES

CC[C@@H](C(=O)C(=O)NCCCN1C=NC2=C1N=C(N=C2N)C)NC(=O)[C@H](C(C)C)NC(=O)N3CCCCC3

InChI

InChI=1S/C25H39N9O4/c1-5-17(31-23(36)18(15(2)3)32-25(38)33-11-7-6-8-12-33)20(35)24(37)27-10-9-13-34-14-28-19-21(26)29-16(4)30-22(19)34/h14-15,17-18H,5-13H2,1-4H3,(H,27,37)(H,31,36)(H,32,38)(H2,26,29,30)/t17-,18-/m0/s1