RAPASTINEL ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H31N5O6.C2H4O2
Molecular Weight	473.5206
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.[H][C@]1(CCCN1C(=O)[C@]2([H])CCCN2C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI

InChIKey=MNEQLJKNUQMKNP-GDLIIDCZSA-N

InChI=1S/C18H31N5O6.C2H4O2/c1-9(24)13(19)18(29)23-8-4-6-12(23)17(28)22-7-3-5-11(22)16(27)21-14(10(2)25)15(20)26;1-2(3)4/h9-14,24-25H,3-8,19H2,1-2H3,(H2,20,26)(H,21,27);1H3,(H,3,4)/t9-,10-,11+,12+,13+,14+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C18H31N5O6
Molecular Weight	413.4686
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:30:57 UTC 2023` Edited by `admin` on `Fri Dec 15 16:30:57 UTC 2023`
Record UNII	90B8PDG67N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RAPASTINEL ACETATE

Common Name

English

L-THREONINAMIDE, L-THREONYL-L-PROLYL-L-PROLYL-, MONOACETATE

Systematic Name

English

THR-PRO-PRO-THR-AMIDE ACETATE

Common Name

English

L-THREONINAMIDE, L-THREONYL-L-PROLYL-L-PROLYL-, ACETATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

90B8PDG67N

Created by admin on Fri Dec 15 16:30:57 UTC 2023 , Edited by admin on Fri Dec 15 16:30:57 UTC 2023

PRIMARY

PUBCHEM

126480238

Created by admin on Fri Dec 15 16:30:57 UTC 2023 , Edited by admin on Fri Dec 15 16:30:57 UTC 2023

PRIMARY

CAS

491872-39-0

Created by admin on Fri Dec 15 16:30:57 UTC 2023 , Edited by admin on Fri Dec 15 16:30:57 UTC 2023

PRIMARY

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