Cochinmicin II
AlkaPlorer ID: AK037227
Synonym: None
IUPAC Name: N-[(2S)-1-[[(3S,6R,9R,15R,16R)-12-benzyl-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrole-2-carboxamide
Structure
SMILES: C[C@H]1N=C(O)C(CC2=CC=CC=C2)N=C(O)[C@H](N=C(O)[C@H](CC2=CC=CC=C2)NC(=O)C2=CC=C(Cl)N2)[C@@H](C)OC(=O)[C@H](C2=CC(O)=CC(O)=C2)N=C(O)[C@@H](C2=CC(O)=CC(O)=C2)N=C1O
InChI: InChI=1S/C46H46ClN7O12/c1-23-40(59)53-38(27-17-29(55)21-30(56)18-27)45(64)54-39(28-19-31(57)22-32(58)20-28)46(65)66-24(2)37(44(63)51-34(42(61)48-23)15-25-9-5-3-6-10-25)52-43(62)35(16-26-11-7-4-8-12-26)50-41(60)33-13-14-36(47)49-33/h3-14,17-24,34-35,37-39,49,55-58H,15-16H2,1-2H3,(H,48,61)(H,50,60)(H,51,63)(H,52,62)(H,53,59)(H,54,64)/t23-,24-,34?,35+,37-,38-,39+/m1/s1
InChIKey: SHHDTFPTYUGWHB-HCRLZTEMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microbispora sp. | Microbispora | Streptosporangiaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 924.3640000000004
TPSA？: 315.06
MolLogP？: 6.410400000000008
Number of H-Donors: 11
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|