(2S)-5-carbamimidamido-2-(8-{[(1R,2S,4R,6S,7R,10S,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-8-oxooctanamido)pentanoic acid
AlkaPlorer ID: AK202855
Synonym: None
IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[8-[[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid
Structure
SMILES: C[C@]12CC[C@H](OC(=O)CCCCCCC(O)=N[C@@H](CCCNC(=N)N)C(=O)O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=COC(=O)C=C3)C[C@H]3O[C@]132
InChI: InChI=1S/C38H56N4O9/c1-35-16-13-24(50-32(45)10-6-4-3-5-9-30(43)42-28(33(46)47)8-7-19-41-34(39)40)21-37(35,48)18-15-26-25(35)14-17-36(2)27(20-29-38(26,36)51-29)23-11-12-31(44)49-22-23/h11-12,22,24-29,48H,3-10,13-21H2,1-2H3,(H,42,43)(H,46,47)(H4,39,40,41)/t24-,25-,26+,27+,28-,29+,35+,36+,37-,38+/m0/s1
InChIKey: SRSJNASBFYXJMJ-OQARAGJZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alicyclobacillus cycloheptanicus | Alicyclobacillus | Alicyclobacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
| Astragalus globiceps | Astragalus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 712.8850000000002
TPSA？: 221.06
MolLogP？: 4.937670000000005
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|