GRL-06579A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H40N2O7S
Molecular Weight	560.702
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCO[C@]1([H])C[C@@H](C2)OC(=O)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(CC(C)C)S(=O)(=O)C4=CC=C(CO)C=C4

InChI

InChIKey=VYBDPVQMILRSMK-GRXYLYAXSA-N

InChI=1S/C29H40N2O7S/c1-20(2)17-31(39(35,36)25-10-8-22(19-32)9-11-25)18-27(33)26(14-21-6-4-3-5-7-21)30-29(34)38-24-15-23-12-13-37-28(23)16-24/h3-11,20,23-24,26-28,32-33H,12-19H2,1-2H3,(H,30,34)/t23-,24+,26-,27+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H40N2O7S
Molecular Weight	560.702
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:41:57 GMT 2023` Edited by `admin` on `Sat Dec 16 10:41:57 GMT 2023`
Record UNII	HCT9829NJK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GRL-06579A

Code

English

CARBAMIC ACID, ((1S,2R)-2-HYDROXY-3-(((4-(HYDROXYMETHYL)PHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-1-(PHENYLMETHYL)PROPYL)-, (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA(B)FURAN-5-YL ESTER

Systematic Name

English

(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA(B)FURAN-5-YL N-((1S,2R)-2-HYDROXY-3-(((4-(HYDROXYMETHYL)PHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-1-(PHENYLMETHYL)PROPYL)CARBAMATE

Systematic Name

English

CARBAMIC ACID, N-((1S,2R)-2-HYDROXY-3-(((4-(HYDROXYMETHYL)PHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-1-(PHENYLMETHYL)PROPYL)-, (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA(B)FURAN-5-YL ESTER

Systematic Name

English

GRL06579A

Code

English

Code System Code Type Description

PUBCHEM

9547976

Created by admin on Sat Dec 16 10:41:57 GMT 2023 , Edited by admin on Sat Dec 16 10:41:57 GMT 2023

PRIMARY

FDA UNII

HCT9829NJK

Created by admin on Sat Dec 16 10:41:57 GMT 2023 , Edited by admin on Sat Dec 16 10:41:57 GMT 2023

PRIMARY

CAS

910909-89-6

Created by admin on Sat Dec 16 10:41:57 GMT 2023 , Edited by admin on Sat Dec 16 10:41:57 GMT 2023

PRIMARY

Related Record Type Details


					HCT9829NJK

GRL-06579A

ACTIVE MOIETY