Stictamide A
AlkaPlorer ID: AK077272
Synonym: None
IUPAC Name: (2S)-2-[[(3S,4S)-3-hydroxy-4-[[(2R)-2-[4-(4-hydroxyphenyl)butanoylamino]-5-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]pentanoyl]amino]-5-phenylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Structure
SMILES: CC(C)=CCNC(=N)NCCC[C@@H](N=C(O)CCCC1=CC=C(O)C=C1)C(O)=N[C@@H](CC1=CC=CC=C1)[C@@H](O)CC(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)O
InChI: InChI=1S/C41H54N6O8/c1-27(2)21-23-44-41(42)43-22-7-11-33(45-37(51)12-6-10-28-13-17-31(48)18-14-28)39(53)47-34(24-29-8-4-3-5-9-29)36(50)26-38(52)46-35(40(54)55)25-30-15-19-32(49)20-16-30/h3-5,8-9,13-21,33-36,48-50H,6-7,10-12,22-26H2,1-2H3,(H,45,51)(H,46,52)(H,47,53)(H,54,55)(H3,42,43,44)/t33-,34+,35+,36+/m1/s1
InChIKey: QNUNSWNHYZFQQQ-WISKXVKBSA-N
Reference
Stictamides A−C, MMP12 Inhibitors Containing 4-Amino-3-hydroxy-5-phenylpentanoic Acid Subunits
PubChem CID: 53262698
LOTUS: LTS0084765
{NPAtlas: NPA006795
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sticta sp. | Sticta | Lobariaceae | Peltigerales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 758.9170000000003
TPSA？: 243.67
MolLogP？: 5.577170000000005
Number of H-Donors: 10
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|