A-53930B
AlkaPlorer ID: AK024442
Synonym: '', 'A 53930B', 'A-53930B'
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3,4-dihydroxyoxan-2-yl]methyl carbamate
Structure
SMILES: N=C(O)OC[C@H]1O[C@@H](NC2=N[C@@H]3[C@H](O)CN=C(O)[C@H]3N2)[C@H](N=C(O)C[C@@H](N)CCCN=C(O)C[C@@H](N)CCCN=C(O)C[C@@H](N)CCCN=C(O)C[C@@H](N)CCCN=C(O)C[C@@H](N)CCCN)[C@H](O)[C@H]1O
InChI: InChI=1S/C43H82N16O12/c44-11-1-6-23(45)16-30(61)51-12-2-7-24(46)17-31(62)52-13-3-8-25(47)18-32(63)53-14-4-9-26(48)19-33(64)54-15-5-10-27(49)20-34(65)56-37-39(67)38(66)29(22-70-42(50)69)71-41(37)59-43-57-35-28(60)21-55-40(68)36(35)58-43/h23-29,35-39,41,60,66-67H,1-22,44-49H2,(H2,50,69)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,55,68)(H,56,65)(H2,57,58,59)/t23-,24-,25-,26-,27-,28+,29+,35+,36-,37+,38-,39-,41+/m0/s1
InChIKey: IJDNLUQURNFBKI-PTESPJIQSA-N
Reference
A-53930A and B, Novel N-Type Ca2+ Channel Blockers.
PubChem CID: 3075479
CAS: 182697-76-3
LOTUS: LTS0036922
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces vinaceusdrappus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1015.228999999999
TPSA？: 511.31000000000006
MolLogP？: -1.842730000000008
Number of H-Donors: 19
Number of H-Acceptors: 21
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|