YM-254890
AlkaPlorer ID: AK042113
Synonym: 'YM-254890', 'QS 3666A', 'YM 254890'
IUPAC Name: [(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3S)-2-acetamido-3-hydroxy-4-methylpentanoate
Structure
SMILES: C=C1C(O)=N[C@@H](C)C(=O)N(C)[C@@H](C)C(O)=N[C@@H]([C@H](OC(=O)[C@@H](N=C(C)O)[C@@H](O)C(C)C)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)OC)C(=O)O[C@H](C)[C@H](N=C(C)O)C(=O)O[C@H](CC2=CC=CC=C2)C(=O)N1C
InChI: InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37-,38+/m0/s1
InChIKey: QVYLWCAYZGFGNF-KCEFZURISA-N
Reference
YM-254890, a Novel Platelet Aggregation Inhibitor Produced by Chromobacterium sp. QS3666
PubChem CID: 162971773
LOTUS: LTS0080164
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Neisseriaceae | Neisseriales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 960.092
TPSA？: 299.65000000000003
MolLogP？: 2.7119000000000115
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|