Cervinin
AlkaPlorer ID: AK051011
Synonym: None
IUPAC Name: (2S)-1-[2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]-N-[(2S)-1-[[1-[(2S)-2-[[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Structure
SMILES: CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)C(C)C
InChI: InChI=1S/C59H102N12O13/c1-32(2)28-38(31-72)62-51(80)44(35(7)8)64-49(78)42-23-20-26-70(42)53(82)57(13,14)65-45(74)36(9)60-48(77)41-22-19-25-69(41)54(83)58(15,16)67-47(76)40(30-34(5)6)63-52(81)56(11,12)68-50(79)43-24-21-27-71(43)55(84)59(17,18)66-46(75)39(29-33(3)4)61-37(10)73/h32-36,38-44,72H,19-31H2,1-18H3,(H,60,77)(H,61,73)(H,62,80)(H,63,81)(H,64,78)(H,65,74)(H,66,75)(H,67,76)(H,68,79)/t36-,38-,39-,40-,41-,42-,43-,44-/m0/s1
InChIKey: UDYHMBXAJRPIAR-IMJZZGAESA-N
Reference
New Peptaibols from <i>Mycogone cervina</i>
PubChem CID: 11286295
LOTUS: LTS0204379
NPASS: NPC477539
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 1187.5359999999991
TPSA？: 343.05999999999995
MolLogP？: 0.7889999999999926
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | IZ | 8.0 | mm | 10.1021/np0302899 |
| Brevibacillus brevis | Brevibacillus brevis | IZ | 7.0 | mm | 10.1021/np0302899 |
| Micrococcus luteus | Micrococcus luteus | IZ | 15.0 | mm | 10.1021/np0302899 |
| Mus musculus | L1210 | Activity | nan | None | 10.1021/np0302899 |
| Paecilomyces variotii | Paecilomyces variotii | IZ | 10.0 | mm | 10.1021/np0302899 |
| Rhizomucor miehei | Rhizomucor miehei | IZ | 9.0 | mm | 10.1021/np0302899 |
| None | NON-PROTEIN TARGET | IC50 | 80.0 | ug.mL-1 | 10.1021/np0302899 |