Isocyclosporin H

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C62H111N11O12
Molecular Weight	1202.6112
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H]1NC(=O)[C@@H](NC)[C@H](OC(=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)NC(=O)[C@H](C)NC(=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)C1=O)C(C)C)[C@H](C)C\C=C\C

InChI

InChIKey=QEKLELUAISGHEL-COGOSFAQSA-N

InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52-50(63-18)56(78)66-43(26-2)58(80)68(19)33-48(74)69(20)44(29-34(3)4)55(77)67-49(38(11)12)61(83)70(21)45(30-35(5)6)54(76)64-41(16)53(75)65-42(17)57(79)71(22)46(31-36(7)8)59(81)72(23)47(32-37(9)10)60(82)73(24)51(39(13)14)62(84)85-52/h25,27,34-47,49-52,63H,26,28-33H2,1-24H3,(H,64,76)(H,65,75)(H,66,78)(H,67,77)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51-,52-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C62H111N11O12
Molecular Weight	1202.6112
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 19:48:51 GMT 2025` Edited by `admin` on `Wed Apr 02 19:48:51 GMT 2025`
Record UNII	9KVA8P9G5P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Isocyclosporin H

Common Name

English

Isocyclosporin A, 10-(N-methyl-D-valine)-

Preferred Name

English

D-Valine, (2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-, (11?1)-lactone

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10857880

Created by admin on Wed Apr 02 19:48:51 GMT 2025 , Edited by admin on Wed Apr 02 19:48:51 GMT 2025

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CAS

83602-43-1

Created by admin on Wed Apr 02 19:48:51 GMT 2025 , Edited by admin on Wed Apr 02 19:48:51 GMT 2025

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FDA UNII

9KVA8P9G5P

Created by admin on Wed Apr 02 19:48:51 GMT 2025 , Edited by admin on Wed Apr 02 19:48:51 GMT 2025

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