PRD_000766
CYCLOSPORIN A, 6 mutation
PRD_000766 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 1MIK.
Chemical Component Summary | |
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Name | CYCLOSPORIN A, 6 mutation |
Identifiers | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,18,24-tetrakis(2-methylpropyl)-30-(3-oxidanylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
Formula | C63 H113 N11 O13 |
Molecular Weight | 1,232.637 |
Type | PEPTIDE-LIKE |
Isomeric SMILES | C/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)CCCO)O |
InChI | InChI=1S/C63H113N11O13/c1-24-25-27-41(14)53(77)52-57(81)66-44(28-26-29-75)59(83)68(17)34-49(76)69(18)45(30-35(2)3)56(80)67-50(39(10)11)62(86)70(19)46(31-36(4)5)55(79)64-42(15)54(78)65-43(16)58(82)71(20)47(32-37(6)7)60(84)72(21)48(33-38(8)9)61(85)73(22)51(40(12)13)63(87)74(52)23/h24-25,35-48,50-53,75,77H,26-34H2,1-23H3,(H,64,79)(H,65,78)(H,66,81)(H,67,80)/b25-24-/t41?,42-,43-,44-,45-,46-,47-,48+,50+,51-,52+,53-/m1/s1 |
InChIKey | LMYSMWRGUZMLGF-WEJABUOMSA-N |
Composition | Polymer Sequences: DAL-MLE-MLE-MVA-BMT-AA4-SAR-MLE-VAL-MLE-ALA |
BIRD class | IMMUNOSUPPRESSANT |
Represented As | POLYMER |
Compound Details | n/a |
Description | n/a |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 200 |
Chiral Atom Count | 12 |
Bond Count | 200 |
Aromatic Bond Count | 0 |
Related Resource References
Resource Name | Reference |
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PubChem | 5287815 |