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

Systemtic Name: [3-acetamido-2-[4-[[7-[3-acetamido-6-(hydroxymethyl)-4-$l^{1}-boranyl-5-oxidanyl-oxan-2-yl]-3-[[[(5-azanyl-2-ethyl-4-methyl-5-oxidanylidene-pentanoyl)amino]methylamino]methoxymethyl]-2-oxidanylidene-heptyl]-[2-[4-[3-acetamido-6-(hydroxymethyl)-4-$l^{1}-boranyl-5-oxidanyl-oxan-2-yl]butylamino]ethanoyl]amino]butyl]-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]boron Openeye Name: [3-acetamido-2-[4-[[7-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-$l^{1}-boranyl-tetrahydropyran-2-yl]-3-[[[(5-amino-2-ethyl-4-methyl-5-oxo-pentanoyl)amino]methylamino]methoxymethyl]-2-oxo-heptyl]-[2-[4-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-$l^{1}-boranyl-tetrahydropyran-2-yl]butylamino]acetyl]amino]butyl]-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]boron CAS Name: [3-acetamido-2-[4-[[2-[[7-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-$l^{1}-boranyl-2-oxanyl]-3-[[[(5-amino-2-ethyl-4-methyl-1,5-dioxopentyl)amino]methylamino]methoxymethyl]-2-oxoheptyl]-[4-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-$l^{1}-boranyl-2-oxanyl]butyl]amino]-2-oxoethyl]amino]butyl]-5-hydroxy-6-(hydroxymethyl)-4-oxanyl]boron IUPAC Name: [3-acetamido-2-[4-[[7-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-$l^{1}-boranyloxan-2-yl]-3-[[[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]methylamino]methoxymethyl]-2-oxoheptyl]-[2-[4-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-$l^{1}-boranyloxan-2-yl]butylamino]acetyl]amino]butyl]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]boron Traditional Name: [3-acetamido-2-[4-[[7-(3-acetamido-5-hydroxy-4-$l^{1}-boranyl-6-methylol-tetrahydropyran-2-yl)-3-[[[(5-amino-2-ethyl-5-keto-4-methyl-pentanoyl)amino]methylamino]methoxymethyl]-2-keto-heptyl]-[2-[4-(3-acetamido-5-hydroxy-4-$l^{1}-boranyl-6-methylol-tetrahydropyran-2-yl)butylamino]acetyl]amino]butyl]-5-hydroxy-6-methylol-tetrahydropyran-4-yl]boron Formula: C52H91B3N8O17 MolecularWeight: 1132.75534

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Descriptors Computed from Structure

Canonical SMILES:

[B]C1C(C(OC(C1O)CO)CCCCC(COCNCNC(=O)C(CC)CC(C)C(=O)N)C(=O)CN(CCCCC2C(C(C(C(O2)CO)O)[B])NC(=O)C)C(=O)CNCCCCC3C(C(C(C(O3)CO)O)[B])NC(=O)C)NC(=O)C

Isomeric SMILES

[B]C1C(C(OC(C1O)CO)CCCCC(COCNCNC(=O)C(CC)CC(C)C(=O)N)C(=O)CN(CCCCC2C(C(C(C(O2)CO)O)[B])NC(=O)C)C(=O)CNCCCCC3C(C(C(C(O3)CO)O)[B])NC(=O)C)NC(=O)C

InChI

InChI=1S/C52H91B3N8O17/c1-6-32(19-28(2)51(56)75)52(76)59-26-58-27-77-25-33(13-7-8-14-35-45(60-29(3)67)42(53)48(72)38(22-64)78-35)34(70)21-63(18-12-10-16-37-47(62-31(5)69)44(55)50(74)40(24-66)80-37)41(71)20-57-17-11-9-15-36-46(61-30(4)68)43(54)49(73)39(23-65)79-36/h28,32-33,35-40,42-50,57-58,64-66,72-74H,6-27H2,1-5H3,(H2,56,75)(H,59,76)(H,60,67)(H,61,68)(H,62,69)