Compound Summary
Compound Information
GRAMICIDIN
Compound Name: | GRAMICIDIN |
Compound CID: | 16130140 |
Synonyms: | GRAMICIDIN Gramicidinum Gramicidina Gramicidine 1405-97-6 More... |
Iupac Name: | (2R)-2-[[(2S)-2-[[2-[[(2S)-2-formamido-3-methylbutanoyl]amino]acetyl]amino]propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide |
InChI: | InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83-,84+,85-/m0/s1 |
InChIKey: | ZWCXYZRRTRDGQE-SORVKSEFSA-N |
Canonical Smiles: | CC(C)CC(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC(C)C)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)C(C)NC(=O)CNC(=O)C(C(C)C)NC=O |
Isomeric Smiles: | C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O |
Molecular Weight: | 1882.3 |
Molecular Formula: | C99H140N20O17 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
GRAMICIDIN
Molecular Weight: | 1882.3 |
Molecular Formula: | C99H140N20O17 |
Hydrogen Bond Donor Count: | 21 |
Hydrogen Bond Acceptor Count: | 17 |
Rotatable Bond Count: | 52 |
Heavy Atom Count: | 136 |
Complexity: | 3980 |
Synonyms
GRAMICIDIN
| GRAMICIDIN | GRAMICIDIN |
|---|---|
GRAMICIDIN |
Gramicidinum |
Gramicidina |
Gramicidine |
1405-97-6 |
9,27-bis(3-aminopropyl)-3,21-dibenzyl-6,24-bis(2-methylpropyl)-12,30-di(propan-2-yl)-1,4,7,10,13,19,22,25,28,31-decazatricyclo31.3.0.015,19hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone |
Gramoderm |
Gramicidine INN-French |
Gramicidinum INN-Latin |
Gramicidina INN-Spanish |
Gramicidin USP:INN:BAN |
UNII-5IE62321P4 |
EINECS 215-790-4 |
Neosporin Ophthalmic Solution |
SCHEMBL163104 |
NSC183503 |
AKOS026750031 |
5IE62321P4 |
NSC 757043 |
HCO-Val-Gly-D-Leu-Ala-D-Val-Val-D-Val-Trp-D-Leu3-Trp-NH2-CH2CH2OH |
Experimental Data
GRAMICIDIN
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 100 | umol/L | 17.11 | 16.47 | -3.692 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 44.8 | 44.62 | -0.4071 | NS | MALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 45.44 | 47.47 | 4.458 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 16.74 | 16.08 | -3.931 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
GRAMICIDIN
Statistics Data
GRAMICIDIN
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -3.692 | 1 | 2 | |
| Drosophila melanogaster | 4.458 | 1 | 2 |
Statistics Data Visualization
GRAMICIDIN
