AN-201 II
AlkaPlorer ID: AK033489
Synonym: None
IUPAC Name: [(2R,3S,4R,5R,6R)-6-[[(3aS,7R,7aR)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-acetamido-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
Structure
SMILES: CC(O)=N[C@@H](CCCN=C(O)C[C@@H](N)CCCN=C(O)C[C@@H](N)CCCN)CC(O)=N[C@@H]1[C@@H](O)[C@H](OC(=N)O)[C@@H](CO)O[C@H]1NC1=N[C@H]2[C@H](O)CN=C(O)[C@H]2N1
InChI: InChI=1S/C33H60N12O11/c1-16(47)41-19(7-4-10-39-23(50)12-18(36)6-3-9-38-22(49)11-17(35)5-2-8-34)13-24(51)42-27-28(52)29(56-32(37)54)21(15-46)55-31(27)45-33-43-25-20(48)14-40-30(53)26(25)44-33/h17-21,25-29,31,46,48,52H,2-15,34-36H2,1H3,(H2,37,54)(H,38,49)(H,39,50)(H,40,53)(H,41,47)(H,42,51)(H2,43,44,45)/t17-,18-,19-,20+,21+,25-,26-,27+,28+,29+,31+/m0/s1
InChIKey: WPMGFKKSCCXUAK-OGKSXYEFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces nojiriensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 800.9160000000002
TPSA？: 400.6600000000001
MolLogP？: -1.73323
Number of H-Donors: 15
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|