N-[(2S)-1-[[1-[3-(6-azanyl-2-methyl-purin-9-yl)propylamino]-1,2-bis(oxidanylidene)-5-phenyl-pentan-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]piperidine-1-carboxamide

Systemtic Name: N-[(2S)-1-[[1-[3-(6-azanyl-2-methyl-purin-9-yl)propylamino]-1,2-bis(oxidanylidene)-5-phenyl-pentan-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]piperidine-1-carboxamide Openeye Name: N-[(1S)-1-[[3-[3-(6-amino-2-methyl-purin-9-yl)propylamino]-2,3-dioxo-1-phenethyl-propyl]carbamoyl]-2-methyl-propyl]piperidine-1-carboxamide CAS Name: N-[(2S)-1-[[1-[3-(6-amino-2-methyl-9-purinyl)propylamino]-1,2-dioxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]-1-piperidinecarboxamide IUPAC Name: N-[(2S)-1-[[1-[3-(6-amino-2-methylpurin-9-yl)propylamino]-1,2-dioxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]piperidine-1-carboxamide Traditional Name: N-[(1S)-1-[[3-[3-(6-amino-2-methyl-purin-9-yl)propylamino]-2,3-diketo-1-phenethyl-propyl]carbamoyl]-2-methyl-propyl]piperidine-1-carboxamide Formula: C31H43N9O4 MolecularWeight: 605.73102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)N=CN2CCCNC(=O)C(=O)C(CCC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O)N4CCCCC4

Isomeric SMILES

CC1=NC2=C(C(=N1)N)N=CN2CCCNC(=O)C(=O)C(CCC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)N4CCCCC4

InChI

InChI=1S/C31H43N9O4/c1-20(2)24(38-31(44)39-16-8-5-9-17-39)29(42)37-23(14-13-22-11-6-4-7-12-22)26(41)30(43)33-15-10-18-40-19-34-25-27(32)35-21(3)36-28(25)40/h4,6-7,11-12,19-20,23-24H,5,8-10,13-18H2,1-3H3,(H,33,43)(H,37,42)(H,38,44)(H2,32,35,36)/t23?,24-/m0/s1