(2,2'-L-serine)-gramicidin S
(3S,6S,9S,12S,15S,21S,24S,27S,30S,33S)-9,27-bis(3-aminopropyl)-3,21-bis(hydroxymethyl)-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
Also Known As: (2,2'-L-Serine)-gramicidin S|(Ser(2,2'))-GS|2,2'-SER-GS|Gramicidin S, 2-L-serine-7-L-serine-
| Molecular Formula | C48H84N12O12 |
|---|---|
| Molecular Weight | 1020.6332 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 366.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 1020.6332 |
| Monoisotopic Mass | 1020.6332 |
| Heavy Atoms | 72 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 75993-96-3 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)C(C)C)CO)CC(C)C)CCCN)C(C)C)CO |
| InChIKey | HKFAPAJSPVVFOZ-YRYMBYOHSA-N |
Product Overview
(2,2'-L-serine)-gramicidin S (CAS 75993-96-3), with molecular formula C48H84N12O12 and molecular weight 1020.6332 g/mol. IUPAC: (3S,6S,9S,12S,15S,21S,24S,27S,30S,33S)-9,27-bis(3-aminopropyl)-3,21-bis(hydroxymethyl)-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.
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