[2-[2-[2-[2-acetamidoethyl(2-$l^{1}-boranylethanoyl)amino]ethanoylamino]ethyl-[2-oxidanylidene-2-(6-phosphonooxyhexylamino)ethyl]amino]-2-oxidanylidene-ethyl]boron

Systemtic Name: [2-[2-[2-[2-acetamidoethyl(2-$l^{1}-boranylethanoyl)amino]ethanoylamino]ethyl-[2-oxidanylidene-2-(6-phosphonooxyhexylamino)ethyl]amino]-2-oxidanylidene-ethyl]boron Openeye Name: [2-[2-[[2-[2-acetamidoethyl-(2-$l^{1}-boranylacetyl)amino]acetyl]amino]ethyl-[2-oxo-2-(6-phosphonooxyhexylamino)ethyl]amino]-2-oxo-ethyl]boron CAS Name: [2-[2-[[2-[2-acetamidoethyl-(2-$l^{1}-boranyl-1-oxoethyl)amino]-1-oxoethyl]amino]ethyl-[2-oxo-2-(6-phosphonooxyhexylamino)ethyl]amino]-2-oxoethyl]boron IUPAC Name: [2-[2-[[2-[2-acetamidoethyl-(2-$l^{1}-boranylacetyl)amino]acetyl]amino]ethyl-[2-oxo-2-(6-phosphonooxyhexylamino)ethyl]amino]-2-oxoethyl]boron Traditional Name: [2-[2-acetamidoethyl-[2-keto-2-[2-[[2-keto-2-(6-phosphonooxyhexylamino)ethyl]-(2-$l^{1}-boranylacetyl)amino]ethylamino]ethyl]amino]-2-keto-ethyl]boron Formula: C20H36B2N5O9P MolecularWeight: 543.123701

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Descriptors Computed from Structure

Canonical SMILES:

[B]CC(=O)N(CCNC(=O)C)CC(=O)NCCN(CC(=O)NCCCCCCOP(=O)(O)O)C(=O)C[B]

Isomeric SMILES

[B]CC(=O)N(CCNC(=O)C)CC(=O)NCCN(CC(=O)NCCCCCCOP(=O)(O)O)C(=O)C[B]

InChI

InChI=1S/C20H36B2N5O9P/c1-16(28)23-7-9-26(19(31)12-21)15-18(30)25-8-10-27(20(32)13-22)14-17(29)24-6-4-2-3-5-11-36-37(33,34)35/h2-15H2,1H3,(H,23,28)(H,24,29)(H,25,30)(H2,33,34,35)