cyclopentyl 2-azanyl-4-[4-[[4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7H-pteridin-2-yl)amino]-3-methoxy-phenyl]carbonylamino]piperidin-1-yl]butanoate

Systemtic Name: cyclopentyl 2-azanyl-4-[4-[[4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7H-pteridin-2-yl)amino]-3-methoxy-phenyl]carbonylamino]piperidin-1-yl]butanoate Openeye Name: cyclopentyl 2-amino-4-[4-[[4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxy-benzoyl]amino]-1-piperidyl]butanoate CAS Name: 2-amino-4-[4-[[[4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxyphenyl]-oxomethyl]amino]-1-piperidinyl]butanoic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-amino-4-[4-[[4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzoyl]amino]piperidin-1-yl]butanoate Traditional Name: 2-amino-4-[4-[[4-[(8-cyclopentyl-7-ethyl-6-keto-5-methyl-7H-pteridin-2-yl)amino]-3-methoxy-benzoyl]amino]piperidino]butyric acid cyclopentyl ester Formula: C36H52N8O5 MolecularWeight: 676.84868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)CCC(C(=O)OC6CCCC6)N)OC)C

Isomeric SMILES

CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)CCC(C(=O)OC6CCCC6)N)OC)C

InChI

InChI=1S/C36H52N8O5/c1-4-29-34(46)42(2)30-22-38-36(41-32(30)44(29)25-9-5-6-10-25)40-28-14-13-23(21-31(28)48-3)33(45)39-24-15-18-43(19-16-24)20-17-27(37)35(47)49-26-11-7-8-12-26/h13-14,21-22,24-27,29H,4-12,15-20,37H2,1-3H3,(H,39,45)(H,38,40,41)