YM-47142
AlkaPlorer ID: AK048374
Synonym: 'N-N2-N-6-Methyl-4-N-N-N-(3-methyl-1-oxobutyl)-L-phenylalanyl-L-threonyl-L-threonylamino-1,2,3-trioxoheptyl-L-leucyl-L-asparaginyl-D-alanine pai-lactone', 'YM-47142', 'YM 47142'
IUPAC Name: N-[(2S)-1-[[(2S,3R)-1-[[(3R,6S,9S,14S,17S,18R)-6-(2-amino-2-oxoethyl)-3,18-dimethyl-9,14-bis(2-methylpropyl)-2,5,8,11,12,13,16-heptaoxo-1-oxa-4,7,10,15-tetrazacyclooctadec-17-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide
Structure
SMILES: CC(C)CC(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@H](C(O)=N[C@@H]1C(O)=N[C@@H](CC(C)C)C(=O)C(=O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C)C(=O)O[C@@H]1C)[C@@H](C)O
InChI: InChI=1S/C43H64N8O13/c1-20(2)15-27-35(55)36(56)42(62)49-28(16-21(3)4)38(58)48-30(19-31(44)53)37(57)45-23(7)43(63)64-25(9)34(41(61)47-27)51-40(60)33(24(8)52)50-39(59)29(46-32(54)17-22(5)6)18-26-13-11-10-12-14-26/h10-14,20-25,27-30,33-34,52H,15-19H2,1-9H3,(H2,44,53)(H,45,57)(H,46,54)(H,47,61)(H,48,58)(H,49,62)(H,50,59)(H,51,60)/t23-,24-,25-,27+,28+,29+,30+,33+,34+/m1/s1
InChIKey: WDOYVAJHZHVZQI-KNFAUAPHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Cytophagaceae | Cytophagales | Cytophagia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 901.028
TPSA？: 352.88
MolLogP？: 5.052670000000008
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|