[3-acetamido-2-[4-[[7-(3-acetamido-4-$l^{1}-boranyl-6-methyl-5-oxidanyl-oxan-2-yl)-3-[(azidomethylamino)methoxymethyl]-2-oxidanylidene-heptyl]-[2-[4-(3-acetamido-4-$l^{1}-boranyl-6-methyl-5-oxidanyl-oxan-2-yl)butylamino]ethanoyl]amino]butyl]-6-methyl-5-oxidanyl-oxan-4-yl]boron

Systemtic Name: [3-acetamido-2-[4-[[7-(3-acetamido-4-$l^{1}-boranyl-6-methyl-5-oxidanyl-oxan-2-yl)-3-[(azidomethylamino)methoxymethyl]-2-oxidanylidene-heptyl]-[2-[4-(3-acetamido-4-$l^{1}-boranyl-6-methyl-5-oxidanyl-oxan-2-yl)butylamino]ethanoyl]amino]butyl]-6-methyl-5-oxidanyl-oxan-4-yl]boron Openeye Name: [3-acetamido-2-[4-[[7-(3-acetamido-5-hydroxy-4-$l^{1}-boranyl-6-methyl-tetrahydropyran-2-yl)-3-[(azidomethylamino)methoxymethyl]-2-oxo-heptyl]-[2-[4-(3-acetamido-5-hydroxy-4-$l^{1}-boranyl-6-methyl-tetrahydropyran-2-yl)butylamino]acetyl]amino]butyl]-5-hydroxy-6-methyl-tetrahydropyran-4-yl]boron CAS Name: [3-acetamido-2-[4-[[2-[[7-(3-acetamido-5-hydroxy-4-$l^{1}-boranyl-6-methyl-2-oxanyl)-3-[(azidomethylamino)methoxymethyl]-2-oxoheptyl]-[4-(3-acetamido-5-hydroxy-4-$l^{1}-boranyl-6-methyl-2-oxanyl)butyl]amino]-2-oxoethyl]amino]butyl]-5-hydroxy-6-methyl-4-oxanyl]boron IUPAC Name: [3-acetamido-2-[4-[[7-(3-acetamido-5-hydroxy-4-$l^{1}-boranyl-6-methyloxan-2-yl)-3-[(azidomethylamino)methoxymethyl]-2-oxoheptyl]-[2-[4-(3-acetamido-5-hydroxy-4-$l^{1}-boranyl-6-methyloxan-2-yl)butylamino]acetyl]amino]butyl]-5-hydroxy-6-methyloxan-4-yl]boron Traditional Name: [3-acetamido-2-[4-[[7-(3-acetamido-5-hydroxy-4-$l^{1}-boranyl-6-methyl-tetrahydropyran-2-yl)-3-[(azidomethylamino)methoxymethyl]-2-keto-heptyl]-[2-[4-(3-acetamido-5-hydroxy-4-$l^{1}-boranyl-6-methyl-tetrahydropyran-2-yl)butylamino]acetyl]amino]butyl]-5-hydroxy-6-methyl-tetrahydropyran-4-yl]boron Formula: C44H76B3N9O12 MolecularWeight: 955.56034

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Descriptors Computed from Structure

Canonical SMILES:

[B]C1C(C(OC(C1O)C)CCCCC(COCNCN=[N+]=[N-])C(=O)CN(CCCCC2C(C(C(C(O2)C)O)[B])NC(=O)C)C(=O)CNCCCCC3C(C(C(C(O3)C)O)[B])NC(=O)C)NC(=O)C

Isomeric SMILES

[B]C1C(C(OC(C1O)C)CCCCC(COCNCN=[N+]=[N-])C(=O)CN(CCCCC2C(C(C(C(O2)C)O)[B])NC(=O)C)C(=O)CNCCCCC3C(C(C(C(O3)C)O)[B])NC(=O)C)NC(=O)C

InChI

InChI=1S/C44H76B3N9O12/c1-24-42(62)36(45)39(52-27(4)57)32(66-24)14-8-7-13-30(21-65-23-50-22-51-55-48)31(60)20-56(18-12-10-16-34-41(54-29(6)59)38(47)44(64)26(3)68-34)35(61)19-49-17-11-9-15-33-40(53-28(5)58)37(46)43(63)25(2)67-33/h24-26,30,32-34,36-44,49-50,62-64H,7-23H2,1-6H3,(H,52,57)(H,53,58)(H,54,59)