Orfamide A
AlkaPlorer ID: AK010209
Synonym: None
IUPAC Name: (4R)-5-[[(3S,6R,9S,12S,15R,18S,21R,24R,25R)-21-butan-2-yl-6,15-bis(hydroxymethyl)-25-methyl-9,12,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-4-[[(2S)-2-(3-hydroxytetradecanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
Structure
SMILES: CCCCCCCCCCCC(O)CC(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CCC(=O)O)C(O)=N[C@H]1C(O)=N[C@H](C(C)CC)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CO)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CO)C(O)=N[C@@H](C(C)C)C(=O)O[C@@H]1C
InChI: InChI=1S/C64H114N10O17/c1-15-17-18-19-20-21-22-23-24-25-42(77)32-50(78)65-44(28-35(3)4)56(82)66-43(26-27-51(79)80)55(81)74-54-41(14)91-64(90)52(39(11)12)72-61(87)49(34-76)71-58(84)46(30-37(7)8)67-57(83)45(29-36(5)6)68-60(86)48(33-75)70-59(85)47(31-38(9)10)69-62(88)53(40(13)16-2)73-63(54)89/h35-49,52-54,75-77H,15-34H2,1-14H3,(H,65,78)(H,66,82)(H,67,83)(H,68,86)(H,69,88)(H,70,85)(H,71,84)(H,72,87)(H,73,89)(H,74,81)(H,79,80)/t40?,41-,42?,43-,44+,45+,46+,47+,48-,49-,52+,53-,54-/m1/s1
InChIKey: AFOLBAYDTRBYBA-MAUDZENVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Virginia | Colubridae | Squamata | Lepidosauria | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1295.6689999999996
TPSA？: 450.1900000000001
MolLogP？: 10.590500000000004
Number of H-Donors: 14
Number of H-Acceptors: 16
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|