Madurastatin A1; 16-Demethyl, N6-[[(2-phenylethyl)amino]carbonyl]
AlkaPlorer ID: AK304995
Synonym: MBJ 0035
IUPAC Name: N-[2-[[3-[hydroxy-[5-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-4-[methyl(2-phenylethylcarbamoyl)amino]-5-oxopentyl]amino]-3-oxopropyl]amino]-2-oxoethyl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
Structure
SMILES: CN(C(=O)NCCC1=CC=CC=C1)C(CCCN(O)C(=O)CCNC(=O)CNC(=O)C1COC(C2=CC=CC=C2O)=N1)C(=O)NC1CCCN(O)C1=O
InChI: InChI=1S/C35H46N8O10/c1-41(35(50)37-17-15-23-9-3-2-4-10-23)27(32(48)39-25-12-7-20-43(52)34(25)49)13-8-19-42(51)30(46)16-18-36-29(45)21-38-31(47)26-22-53-33(40-26)24-11-5-6-14-28(24)44/h2-6,9-11,14,25-27,44,51-52H,7-8,12-13,15-22H2,1H3,(H,36,45)(H,37,50)(H,38,47)(H,39,48)
InChIKey: OADOYDUCLVHFKP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptosporangium sp. | Streptosporangium | Streptosporangiaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 738.7990000000001
TPSA？: 242.54
MolLogP？: -0.0927999999999923
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|