Mannopeptimycin β
AlkaPlorer ID: AK022224
Synonym: None
IUPAC Name: (3S,6R,12R,15S)-9-[(S)-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-hydroxymethyl]-6-[(R)-[(4S)-2-amino-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-3-(hydroxymethyl)-12-[(4-hydroxyphenyl)methyl]-15-[(1S)-1-phenylethyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Structure
SMILES: C[C@@H](C1=CC=CC=C1)[C@@H]1N=C(O)CN=C(O)[C@H](CO)N=C(O)[C@@H]([C@@H](O)[C@@H]2CNC(=N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)N=C(O)C([C@@H](O)[C@@H]2CNC(=N)N2)N=C(O)[C@@H](CC2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C42H58N12O15/c1-17(19-5-3-2-4-6-19)27-37(66)48-21(11-18-7-9-20(57)10-8-18)36(65)52-28(30(59)22-12-46-41(43)50-22)39(68)53-29(38(67)49-23(15-55)35(64)45-14-26(58)51-27)31(60)24-13-47-42(44)54(24)40-34(63)33(62)32(61)25(16-56)69-40/h2-10,17,21-25,27-34,40,55-57,59-63H,11-16H2,1H3,(H2,44,47)(H,45,64)(H,48,66)(H,49,67)(H,51,58)(H,52,65)(H,53,68)(H3,43,46,50)/t17-,21+,22-,23-,24-,25+,27-,28?,29+,30-,31-,32+,33-,34-,40-/m0/s1
InChIKey: YBILMIDCJFLBHS-QVYPULOLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 970.995
TPSA？: 453.6400000000001
MolLogP？: -3.447259999999999
Number of H-Donors: 19
Number of H-Acceptors: 17
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|