Basic information
- CAS
15207-30-4- Standard SMILES
CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O.Cl.Cl- InChIKey
KCUAVDXLFXNGDG-MZFDKZDRSA-N- Molecular formula
- C60H94Cl2N12O10
- Average molar mass
- 1,214.4 g/mol
- Monoisotopic mass
- 1,212.6592926
Names & identifiers
- Preferred name
- Gramicidin S dihydrochloride
- IUPAC
- (3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-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-decazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone;dihydrochloride
- English name
- GRAMICIDIN S HYDROCHLORIDE
- Molecular formula
- C60H94Cl2N12O10
- Molecular weight
- 1214.36876
Names & synonyms
Gramicidin S dihydrochlorideGramicidin S hydrochlorideA9H4RB7OLMUNII-A9H4RB7OLMDTXSID80164952Gramicidin S hydrochloride (JAN)GRAMICIDIN S HYDROCHLORIDE [JAN]GRAMICIDIN S HYDROCHLORIDE [WHO-DD]GRAMICIDIN S, HYDROCHLORIDE (1:2)RefChem:144274DTXCID508744315207-30-4
Show more names
orb2813979SCHEMBL29689215(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-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-decazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone;dihydrochloride3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(3-Azaniumylpropyl)-3,21-dibenzyl-6,24-bis(2-methylpropyl)-2,5,8,11,14,20,23,26,29,32-decaoxo-12,30-di(propan-2-yl)-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontan-9-yl]propylazanium;dichlorideFG168088D02230T203753Cyclo(L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-valyl-L-ornithyl)--hydrogen chloride (1/2)
Database identifiers
- CAS
15207-30-4
Properties
Computed structural properties
- Topological polar surface area
- 325 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,020
Physicochemical properties
- InChIKey
- KCUAVDXLFXNGDG-MZFDKZDRSA-N
- FDA UNII
- 9 H4RB7OLM · A9H4RB7OLM
Chemistry & industry
Suppliers2 total
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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