LL-BM123 gamma1
AlkaPlorer ID: AK068064
Synonym: None
IUPAC Name: (3aR,4S,7S,7aR)-4-[(3R,4R,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-[4-[(E)-3-[3-(4-aminobutylamino)propylamino]-3-oxoprop-1-enyl]phenoxy]-5-(diaminomethylideneamino)-4-hydroxy-2-methyloxan-3-yl]carbamoylamino]-5-(carbamoylamino)-4-hydroxyoxan-3-yl]oxy-7-hydroxy-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[3,4-d]imidazole-3-carboxamide
Structure
SMILES: C[C@H]1O[C@H](OC2=CC=C(/C=C/C(O)=NCCCNCCCCN)C=C2)[C@H](NC(=N)N)[C@@H](O)[C@@H]1N=C(O)N[C@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@@H]3N=C(O)N(C(=N)O)[C@@H]23)[C@H](O)[C@H]1NC(=N)O
InChI: InChI=1S/C37H59N13O13/c1-17-23(29(54)26(45-33(39)40)31(61-17)62-19-8-5-18(6-9-19)7-10-22(52)44-14-4-13-43-12-3-2-11-38)47-36(57)49-30-25(46-34(41)55)28(53)21(16-59-30)63-32-27-24(20(51)15-60-32)48-37(58)50(27)35(42)56/h5-10,17,20-21,23-32,43,51,53-54H,2-4,11-16,38H2,1H3,(H2,42,56)(H,44,52)(H,48,58)(H4,39,40,45)(H3,41,46,55)(H2,47,49,57)/b10-7+/t17-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30+,31-,32+/m1/s1
InChIKey: DNVZVPOGAWMZMI-FWDCAGJFSA-N
Reference
PubChem CID: 11981273
CAS: 60830-76-4
LOTUS: LTS0011464
SuperNatural Ⅲ: SN0070703-04
{NPAtlas: NPA017439
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia sp. | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 893.9570000000003
TPSA？: 420.02
MolLogP？: -2.686590000000006
Number of H-Donors: 17
Number of H-Acceptors: 16
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|