YM-254891
AlkaPlorer ID: AK051946
Synonym: None
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,3R)-3-hydroxy-4-methyl-2-(propanoylamino)pentanoate
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(O)CC)[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/C47H71N7O15/c1-16-33(56)50-35(38(57)23(2)3)46(64)69-39(24(4)5)36-44(62)54(14)37(29(10)66-15)47(65)67-28(9)34(49-30(11)55)45(63)68-32(22-31-20-18-17-19-21-31)43(61)53(13)26(7)40(58)48-25(6)42(60)52(12)27(8)41(59)51-36/h17-21,23-25,27-29,32,34-39,57H,7,16,22H2,1-6,8-15H3,(H,48,58)(H,49,55)(H,50,56)(H,51,59)/t25-,27-,28+,29+,32+,34-,35-,36-,37-,38+,39+/m0/s1
InChIKey: MIUSVQSGIKVHCV-JXBUMTBVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chromobacterium sp. | Chromobacterium | Chromobacteriaceae | Neisseriales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 974.119
TPSA？: 299.65000000000003
MolLogP？: 3.102000000000012
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|