[2-[[2-[[3-[2-[(2-azanyl-2-oxidanylidene-ethyl)-butanoyl-amino]ethylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-[2-[3-[2-[methyl(propanoyl)amino]ethanoylamino]propanoylamino]ethyl]amino]-2-oxidanylidene-ethyl]boron

Systemtic Name: [2-[[2-[[3-[2-[(2-azanyl-2-oxidanylidene-ethyl)-butanoyl-amino]ethylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-[2-[3-[2-[methyl(propanoyl)amino]ethanoylamino]propanoylamino]ethyl]amino]-2-oxidanylidene-ethyl]boron Openeye Name: [2-[[2-[[3-[2-[(2-amino-2-oxo-ethyl)-butanoyl-amino]ethylamino]-3-oxo-propyl]amino]-2-oxo-ethyl]-[2-[3-[[2-[methyl(propanoyl)amino]acetyl]amino]propanoylamino]ethyl]amino]-2-oxo-ethyl]boron CAS Name: [2-[[2-[[3-[2-[(2-amino-2-oxoethyl)-(1-oxobutyl)amino]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]-[2-[[3-[[2-[methyl(1-oxopropyl)amino]-1-oxoethyl]amino]-1-oxopropyl]amino]ethyl]amino]-2-oxoethyl]boron IUPAC Name: [2-[[2-[[3-[2-[(2-amino-2-oxoethyl)-butanoylamino]ethylamino]-3-oxopropyl]amino]-2-oxoethyl]-[2-[3-[[2-[methyl(propanoyl)amino]acetyl]amino]propanoylamino]ethyl]amino]-2-oxoethyl]boron Traditional Name: [2-[[2-[[3-[2-[(2-amino-2-keto-ethyl)-butyryl-amino]ethylamino]-3-keto-propyl]amino]-2-keto-ethyl]-[2-[3-[[2-[methyl(propionyl)amino]acetyl]amino]propanoylamino]ethyl]amino]-2-keto-ethyl]boron Formula: C26H45BN8O8 MolecularWeight: 608.4953

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Descriptors Computed from Structure

Canonical SMILES:

[B]CC(=O)N(CCNC(=O)CCNC(=O)CN(C)C(=O)CC)CC(=O)NCCC(=O)NCCN(CC(=O)N)C(=O)CCC

Isomeric SMILES

[B]CC(=O)N(CCNC(=O)CCNC(=O)CN(C)C(=O)CC)CC(=O)NCCC(=O)NCCN(CC(=O)N)C(=O)CCC

InChI

InChI=1S/C26H45BN8O8/c1-4-6-25(42)34(16-19(28)36)13-11-31-21(38)8-10-30-23(40)18-35(26(43)15-27)14-12-32-20(37)7-9-29-22(39)17-33(3)24(41)5-2/h4-18H2,1-3H3,(H2,28,36)(H,29,39)(H,30,40)(H,31,38)(H,32,37)