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Details

Stereochemistry ABSOLUTE
Molecular Formula C63H113N11O12
Molecular Weight 1216.6378
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Cyclosporin A, 1-[(2S)-2-aminobutanoic acid]-

SMILES

CC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC1=O)C(C)C

InChI

InChIKey=RVYSEKGVPXFKBH-FRGIQLLGSA-N
InChI=1S/C63H113N11O12/c1-25-28-29-41(16)53(76)52-57(80)66-44(27-3)59(82)68(18)34-49(75)69(19)45(30-35(4)5)56(79)67-50(39(12)13)62(85)70(20)46(31-36(6)7)55(78)65-43(26-2)54(77)64-42(17)58(81)71(21)47(32-37(8)9)60(83)72(22)48(33-38(10)11)61(84)73(23)51(40(14)15)63(86)74(52)24/h25,28,35-48,50-53,76H,26-27,29-34H2,1-24H3,(H,64,77)(H,65,78)(H,66,80)(H,67,79)/b28-25+/t41-,42-,43+,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Cyclosporin A, 1-[(2S)-2-aminobutanoic acid]-
Systematic Name English
Ciclosporin V (Cyclosporin Impurity E)
Preferred Name English
1-[(2S)-2-Aminobutanoic acid]cyclosporin A
Systematic Name English
Cyclo[D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-2-aminobutanoyl]
Systematic Name English
Code System Code Type Description
FDA UNII
466WP38UQW
Created by admin on Wed Apr 02 20:19:13 GMT 2025 , Edited by admin on Wed Apr 02 20:19:13 GMT 2025
PRIMARY
CAS
108027-46-9
Created by admin on Wed Apr 02 20:19:13 GMT 2025 , Edited by admin on Wed Apr 02 20:19:13 GMT 2025
PRIMARY
PUBCHEM
121480897
Created by admin on Wed Apr 02 20:19:13 GMT 2025 , Edited by admin on Wed Apr 02 20:19:13 GMT 2025
PRIMARY