Cyclosporin; Cyclosporin A, 4-[2-(Methylamino)pentanoic acid] analogue
AlkaPlorer ID: AK293830
Synonym: 4-(N-Methyl-L-norvaline)cyclosporin A
IUPAC Name: None
Structure
SMILES: C/C=C/CC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CCC)C(=O)N(C)C(C(C)C)C(=O)N1C
InChI: InChI=1S/C61H109N11O12/c1-24-27-29-39(14)51(74)50-55(78)64-42(26-3)57(80)66(17)33-47(73)67(18)44(30-34(4)5)54(77)65-48(37(10)11)60(83)69(20)45(31-35(6)7)53(76)62-40(15)52(75)63-41(16)56(79)70(21)46(32-36(8)9)59(82)68(19)43(28-25-2)58(81)71(22)49(38(12)13)61(84)72(50)23/h24,27,34-46,48-51,74H,25-26,28-33H2,1-23H3,(H,62,76)(H,63,75)(H,64,78)(H,65,77)/b27-24+
InChIKey: WKXVYCGLVFPFIG-SOYKGTTHSA-N
Reference
CAS: 437611-18-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sterila | Sympoventuriaceae | Venturiales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1188.607999999999
TPSA？: 278.8
MolLogP？: 3.023000000000004
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|