Scabichelin
AlkaPlorer ID: AK001001
Synonym: '(2s)-n-(1s)-1-{(4s)-4-{(1s)-4-amino-1-{(3r)-1-hydroxy-2-oxopiperidin-3-yl-c-hydroxycarbonimidoyl}butyl-c-hydroxycarbonimidoyl}-4-(methylamino)butyl(hydroxy)carbamoyl}-2-hydroxyethyl-5-(n-hydroxyacetamido)-2-(methylamino)pentanimidic acid', '(2S)-N-(1S)-1-{(4S)-4-{(1S)-4-amino-1-{(3R)-1-hydroxy-2-oxopiperidin-3-yl-C-hydroxycarbonimidoyl}butyl-C-hydroxycarbonimidoyl}-4-(methylamino)butyl(hydroxy)carbamoyl}-2-hydroxyethyl-5-(N-hydroxyacetamido)-2-(methylamino)pentanimidic acid', 'Scabichelin'
IUPAC Name: (2S)-2-[[(2S)-5-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-(methylamino)pentanoyl]amino]-3-hydroxypropanoyl]-hydroxyamino]-2-(methylamino)pentanoyl]amino]-5-amino-N-[(3R)-1-hydroxy-2-oxopiperidin-3-yl]pentanamide
Structure
SMILES: CN[C@@H](CCCN(O)C(=O)[C@H](CO)NC(=O)[C@H](CCCN(O)C(C)=O)NC)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]1CCCN(O)C1=O
InChI: InChI=1S/C27H51N9O10/c1-17(38)34(44)13-5-9-19(30-3)24(40)33-22(16-37)27(43)36(46)14-6-10-18(29-2)23(39)31-20(8-4-12-28)25(41)32-21-11-7-15-35(45)26(21)42/h18-22,29-30,37,44-46H,4-16,28H2,1-3H3,(H,31,39)(H,32,41)(H,33,40)/t18-,19-,20-,21+,22-/m0/s1
InChIKey: MJSKTORPGJRXNC-KGWSWXIGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces antibioticus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 661.7580000000003
TPSA？: 279.23
MolLogP？: -3.624500000000003
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|