LL-BM 123
[2-[5-[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-3,5,6-trihydroxycyclohexyl] carbamate
Also Known As: Antibiotic LL-BM 123alpha|LL-BM-123alpha|LL-BM123alpha|LL-BM 123|LL-BM-123|LL-BM123|[2-[5-[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-3,5,6-trihydroxycyclohexyl] carbamate|3-{[(5-amino-3,4-dihydro-2h-pyrrol-2-yl)carbonyl]amino}-6-(carbamoyloxy)-2,4,5-trihydroxycyclohexyl 4-o-(2-deoxy-2-{[n5-(diaminomethylidene)ornithyl]amino}hexopyranosyl)hexopyranoside|D-myo-Inositol, O-2-(((S)-2-amino-5-((aminoiminomethyl)amino)-1-oxopentyl)amino)-2-deoxy-alpha-D-glucopyranosyl-(1->4)-O-alpha-D-mannopyranosyl-(1->4)-2-((((S)-5-amino-3,4-dihydro-2H-pyrrol-2-yl)carbonyl)amino)-2-deoxy-, 5-carbamate|D-myo-Inositol, O-2-(((S)-2-amino-5-((aminoiminomethyl)amino)-1-oxopentyl)amino)-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-beta-D-mannopyranosyl-(1-4)-2-((((S)-5-amino-3,4-dihydro-2H-pyrrol-2-yl)carbonyl)amino)-2-deoxy-, 5-carbamate|N-(3-{[4-O-(2-{[2-Amino-5-(carbamimidoylamino)-1-hydroxypentylidene]amino}-2-deoxyhexopyranosyl)hexopyranosyl]oxy}-2,5,6-trihydroxy-4-[hydroxy(imino)methoxy]cyclohexyl)-5-iminopyrrolidine-2-carboximidic acid|N-{3-[(4-O-{2-[(2-Amino-5-carbamimidamido-1-hydroxypentylidene)amino]-2-deoxyhexopyranosyl}hexopyranosyl)oxy]-2,5,6-trihydroxy-4-[hydroxy(imino)methoxy]cyclohexyl}-5-iminopyrrolidine-2-carboximidic acid
| Molecular Formula | C30H53N9O17 |
|---|---|
| Molecular Weight | 811.35596 g/mol |
| LogP | -10.0 |
| Topological Polar Surface Area | 458.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Exact Mass | 811.35596 |
| Monoisotopic Mass | 811.35596 |
| Heavy Atoms | 56 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 5705-38-4 |
|---|---|
| SMILES | C1CC(=NC1C(=O)NC2C(C(C(C(C2O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)NC(=O)C(CCCN=C(N)N)N)O)O)OC(=O)N)O)O)N |
| InChIKey | PCABPYAXRZVJKF-UHFFFAOYSA-N |
Product Overview
LL-BM 123 (CAS 5705-38-4), with molecular formula C30H53N9O17 and molecular weight 811.35596 g/mol. IUPAC: [2-[5-[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-3,5,6-trihydroxycyclohexyl] carbamate.