RO-31-2201

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25N3O6
Molecular Weight	403.429
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC(=O)N3CCC[C@H](N3C2=O)C(O)=O

InChI

InChIKey=FMJAOLLMTCVYNI-JYJNAYRXSA-N

InChI=1S/C20H25N3O6/c24-17-11-10-14(18(25)23-16(20(28)29)7-4-12-22(17)23)21-15(19(26)27)9-8-13-5-2-1-3-6-13/h1-3,5-6,14-16,21H,4,7-12H2,(H,26,27)(H,28,29)/t14-,15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H25N3O6
Molecular Weight	403.429
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:29:25 GMT 2025` Edited by `admin` on `Mon Mar 31 22:29:25 GMT 2025`
Record UNII	931EL1054M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RO 31-2201

Preferred Name

English

RO-31-2201

Common Name

English

(4S,7S)-7-(((1S)-1-CARBOXY-3-PHENYLPROPYL)AMINO)-6,10-DIOXO-2,3,4,7,8,9-HEXAHYDRO-1H-PYRIDAZINO(1,2-A)DIAZEPINE-4-CARBOXYLIC ACID

Systematic Name

English

(5S,8S)-5-(((1S)-1-CARBOXY-3-PHENYL-PROPYL)AMINO)-2,6-DIOXO-1,7-DIAZABICYCLO(5.4.0)UNDECANE-8-CARBOXYLIC ACID

Systematic Name

English

6H-PYRIDAZINO(1,2-A)(1,2)DIAZEPINE-1-CARBOXYLIC ACID, 9-(((1S)-1-CARBOXY-3-PHENYLPROPYL)AMINO)OCTAHYDRO-6,10-DIOXO-, (1S,9S)-

Systematic Name

English

(1S,9S)-9-(((1S)-1-CARBOXY-3-PHENYLPROPYL)AMINO)-6,10-DIOXOOCTAHYDRO-6H-PYRIDAZINO(1,2-A)(1,2)DIAZEPINE-1-CARBOXYLIC ACID

Systematic Name

English

6H-PYRIDAZINO(1,2-A)(1,2)DIAZEPINE-1-CARBOXYLIC ACID, 9-((1-CARBOXY-3-PHENYLPROPYL)AMINO)OCTAHYDRO-6,10-DIOXO-, (1S-(1.ALPHA.,9.ALPHA.(R*)))-

Systematic Name

English

RO-312201

Code

English

(4S,7S)-7-(((2S)-1-HYDROXY-1-OXO-4-PHENYLBUTAN-2-YL)AMINO)-6,10-DIOXO-2,3,4,7,8,9-HEXAHYDRO-1H-PYRIDAZINO(1,2-A)DIAZEPINE-4-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

931EL1054M