Cyclosporin A, 1-[(2S)-2-aminobutanoic acid]-

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]-

Structure Search

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

Molecular Formula	C63H113N11O12
Molecular Weight	1216.6378
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:19:13 GMT 2025` Edited by `admin` on `Wed Apr 02 20:19:13 GMT 2025`
Record UNII	466WP38UQW
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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