YM 254892
AlkaPlorer ID: AK318058
Synonym: None
IUPAC Name: [1-[21-acetamido-18-benzyl-3-(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] 3-hydroxy-4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
Structure
SMILES: C=C1C(O)=NC(C)C(=O)N(C)C(C)C(O)=NC(C(OC(=O)C(N=C(O)CSC)C(O)C(C)C)C(C)C)C(=O)N(C)C(C(C)OC)C(=O)OC(C)C(N=C(C)O)C(=O)OC(CC2=CC=CC=C2)C(=O)N1C
InChI: InChI=1S/C47H71N7O15S/c1-23(2)38(57)35(50-33(56)22-70-15)46(64)69-39(24(3)4)36-44(62)54(13)37(29(9)66-14)47(65)67-28(8)34(49-30(10)55)45(63)68-32(21-31-19-17-16-18-20-31)43(61)53(12)26(6)40(58)48-25(5)42(60)52(11)27(7)41(59)51-36/h16-20,23-25,27-29,32,34-39,57H,6,21-22H2,1-5,7-15H3,(H,48,58)(H,49,55)(H,50,56)(H,51,59)
InChIKey: ORHDNZASJAMTPD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chromobacterium sp. | Chromobacterium | Chromobacteriaceae | Neisseriales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1006.186
TPSA？: 299.65000000000003
MolLogP？: 3.055000000000012
Number of H-Donors: 5
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|