methyl 6-[2,2-bis[(5-isocyanato-6-methoxy-6-oxidanylidene-hexyl)carbamoyloxymethyl]butoxycarbonylamino]-2-isocyanato-hexanoate

Systemtic Name: methyl 6-[2,2-bis[(5-isocyanato-6-methoxy-6-oxidanylidene-hexyl)carbamoyloxymethyl]butoxycarbonylamino]-2-isocyanato-hexanoate Openeye Name: methyl 6-[2,2-bis[(5-isocyanato-6-methoxy-6-oxo-hexyl)carbamoyloxymethyl]butoxycarbonylamino]-2-isocyanato-hexanoate CAS Name: 6-[[2,2-bis[[[(5-isocyanato-6-methoxy-6-oxohexyl)amino]-oxomethoxy]methyl]butoxy-oxomethyl]amino]-2-isocyanatohexanoic acid methyl ester IUPAC Name: methyl 6-[2,2-bis[(5-isocyanato-6-methoxy-6-oxohexyl)carbamoyloxymethyl]butoxycarbonylamino]-2-isocyanatohexanoate Traditional Name: 6-[2,2-bis[(5-isocyanato-6-keto-6-methoxy-hexyl)carbamoyloxymethyl]butoxycarbonylamino]-2-isocyanato-hexanoic acid methyl ester Formula: C33H50N6O15 MolecularWeight: 770.7813

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)NCCCCC(C(=O)OC)N=C=O)(COC(=O)NCCCCC(C(=O)OC)N=C=O)COC(=O)NCCCCC(C(=O)OC)N=C=O

Isomeric SMILES

CCC(COC(=O)NCCCCC(C(=O)OC)N=C=O)(COC(=O)NCCCCC(C(=O)OC)N=C=O)COC(=O)NCCCCC(C(=O)OC)N=C=O

InChI

InChI=1S/C33H50N6O15/c1-5-33(18-52-30(46)34-15-9-6-12-24(37-21-40)27(43)49-2,19-53-31(47)35-16-10-7-13-25(38-22-41)28(44)50-3)20-54-32(48)36-17-11-8-14-26(39-23-42)29(45)51-4/h24-26H,5-20H2,1-4H3,(H,34,46)(H,35,47)(H,36,48)