methyl 2-[2-[2-[2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]ethanoyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]ethanoylamino]ethylamino]ethanoate

Systemtic Name: methyl 2-[2-[2-[2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]ethanoyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]ethanoylamino]ethylamino]ethanoate Openeye Name: methyl 2-[2-[[2-[2-(benzyloxycarbonylamino)ethyl-[2-[6-[bis(tert-butoxycarbonyl)amino]purin-9-yl]acetyl]amino]acetyl]amino]ethylamino]acetate CAS Name: 2-[2-[[2-[[2-[6-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-9-purinyl]-1-oxoethyl]-[2-(phenylmethoxycarbonylamino)ethyl]amino]-1-oxoethyl]amino]ethylamino]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[2-[[2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetyl]-[2-(phenylmethoxycarbonylamino)ethyl]amino]acetyl]amino]ethylamino]acetate Traditional Name: 2-[2-[[2-[2-(benzyloxycarbonylamino)ethyl-[2-[6-[bis(tert-butoxycarbonyl)amino]purin-9-yl]acetyl]amino]acetyl]amino]ethylamino]acetic acid methyl ester Formula: C34H47N9O10 MolecularWeight: 741.79128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=NC=NC2=C1N=CN2CC(=O)N(CCNC(=O)OCC3=CC=CC=C3)CC(=O)NCCNCC(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=NC=NC2=C1N=CN2CC(=O)N(CCNC(=O)OCC3=CC=CC=C3)CC(=O)NCCNCC(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H47N9O10/c1-33(2,3)52-31(48)43(32(49)53-34(4,5)6)29-27-28(38-21-39-29)42(22-40-27)19-25(45)41(18-24(44)36-14-13-35-17-26(46)50-7)16-15-37-30(47)51-20-23-11-9-8-10-12-23/h8-12,21-22,35H,13-20H2,1-7H3,(H,36,44)(H,37,47)