Stictamide B
AlkaPlorer ID: AK081810
Synonym: None
IUPAC Name: (2S)-2-[[(3S,4S)-4-[[(2R)-5-(diaminomethylideneamino)-2-[4-(4-hydroxyphenyl)butanoylamino]pentanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Structure
SMILES: N=C(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/C36H46N6O8/c37-36(38)39-19-5-9-28(40-32(46)10-4-8-23-11-15-26(43)16-12-23)34(48)42-29(20-24-6-2-1-3-7-24)31(45)22-33(47)41-30(35(49)50)21-25-13-17-27(44)18-14-25/h1-3,6-7,11-18,28-31,43-45H,4-5,8-10,19-22H2,(H,40,46)(H,41,47)(H,42,48)(H,49,50)(H4,37,38,39)/t28-,29+,30+,31+/m1/s1
InChIKey: ORWSPLPFCCECQV-BHSUFKTOSA-N
Reference
Stictamides A−C, MMP12 Inhibitors Containing 4-Amino-3-hydroxy-5-phenylpentanoic Acid Subunits
PubChem CID: 53306462
LOTUS: LTS0121462
{NPAtlas: NPA011117
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sticta sp. | Sticta | Lobariaceae | Peltigerales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 690.7980000000002
TPSA？: 257.66
MolLogP？: 3.98007
Number of H-Donors: 10
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|