RUCLOSPORIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C68H122N12O14
Molecular Weight	1331.7683
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1([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)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)[C@@H](OCCN2CCOCC2)N(C)C(=O)[C@H](CC)NC1=O)C(C)C

InChI

InChIKey=DZAWKZBRQVCGKX-ASXKUNBESA-N

InChI=1S/C68H122N12O14/c1-25-27-28-45(15)56(81)55-60(85)71-48(26-2)62(87)79(24)68(94-34-31-80-29-32-93-33-30-80)67(92)74(19)50(36-40(5)6)59(84)72-53(43(11)12)65(90)73(18)49(35-39(3)4)58(83)69-46(16)57(82)70-47(17)61(86)75(20)51(37-41(7)8)63(88)76(21)52(38-42(9)10)64(89)77(22)54(44(13)14)66(91)78(55)23/h25,27,39-56,68,81H,26,28-38H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C68H122N12O14
Molecular Weight	1331.7683
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:26:28 UTC 2023` Edited by `admin` on `Sat Dec 16 11:26:28 UTC 2023`
Record UNII	SXQ3I65R57
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUCLOSPORIN

Official Name

English

RUCLOSPORIN [USAN]

Common Name

English

CYCLO(L-ALANYL-D-ALANYL-N-METHYL-L-LEUCYL-N-METHYL-L-LEUCYL-N-METHYL-L-VALYL-(3R,4R,6E)-3-HYDROXY-N,4-DIMETHYL-L-2-AMINOOCT-6-ENOYL-L-2-AMINOBUTANOYL-(2R)-N-METHYL-2-(2-(MORPHOLIN-4-YL)ETHOXY)GLYCYL-N-METHYL-L-LEUCYL-L-VALYL-N-METHYL-L-LEUCYL)

Systematic Name

English

Ruclosporin [WHO-DD]

Common Name

English

SCY-641

Code

English

CYCLOSPORIN A, 8-((2R)-N-METHYL-2-(2-(4-MORPHOLINYL)ETHOXY)GLYCINE)-

Systematic Name

English

ruclosporin [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C574