LFA-451

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H50N2O8
Molecular Weight	626.7801
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]3C[C@H](CC(=O)NCCO)N(CC4=CC=C(O)C(OC)=C4)C(=O)O3)OC(=O)[C@@H](C)CC

InChI

InChIKey=LZNJRRFPDQIZDJ-MRSBGTAOSA-N

InChI=1S/C35H50N2O8/c1-6-22(3)34(41)45-31-16-21(2)15-25-9-7-23(4)28(33(25)31)11-10-27-18-26(19-32(40)36-13-14-38)37(35(42)44-27)20-24-8-12-29(39)30(17-24)43-5/h7-9,12,15,17,21-23,26-28,31,33,38-39H,6,10-11,13-14,16,18-20H2,1-5H3,(H,36,40)/t21-,22-,23-,26+,27+,28-,31-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H50N2O8
Molecular Weight	626.7801
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:51:15 GMT 2023` Edited by `admin` on `Sat Dec 16 18:51:15 GMT 2023`
Record UNII	M96LP939B7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LFA-451

Code

English

LFA451

Code

English

BUTANOIC ACID, 2-METHYL-, (1S,3R,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-3,7-DIMETHYL-8-(2-((4R,6R)-TETRAHYDRO-4-(2-((2-HYDROXYETHYL)AMINO)-2-OXOETHYL)-3-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-2-OXO-2H-1,3-OXAZIN-6-YL)ETHYL)-1-NAPHTHALENYL ESTER, (2S)-

Systematic Name

English

(1S,3R,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-3,7-DIMETHYL-8-(2-((4R,6R)-TETRAHYDRO-4-(2-((2-HYDROXYETHYL)AMINO)-2-OXOETHYL)-3-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-2-OXO-2H-1,3-OXAZIN-6-YL)ETHYL)-1-NAPHTHALENYL (2S)-2-METHYLBUTANOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

M96LP939B7

Created by admin on Sat Dec 16 18:51:15 GMT 2023 , Edited by admin on Sat Dec 16 18:51:15 GMT 2023

PRIMARY

PUBCHEM

9939087

Created by admin on Sat Dec 16 18:51:15 GMT 2023 , Edited by admin on Sat Dec 16 18:51:15 GMT 2023

PRIMARY

CAS

288323-74-0

Created by admin on Sat Dec 16 18:51:15 GMT 2023 , Edited by admin on Sat Dec 16 18:51:15 GMT 2023

PRIMARY

Related Record Type Details


					M96LP939B7

LFA-451

ACTIVE MOIETY