SSR-240612

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H52N4O7S.ClH
Molecular Weight	793.411
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC3=CC=C(CN4[C@@H](C)CCC[C@H]4C)C=C3)C(=O)N(C)C(C)C)C5=CC=C6OCOC6=C5

InChI

InChIKey=GLHHFOSVBQQNAW-GDYXXZBVSA-N

InChI=1S/C42H52N4O7S.ClH/c1-27(2)45(5)42(48)38(20-30-10-12-31(13-11-30)25-46-28(3)8-7-9-29(46)4)43-41(47)24-37(34-16-19-39-40(23-34)53-26-52-39)44-54(49,50)36-18-15-32-21-35(51-6)17-14-33(32)22-36;/h10-19,21-23,27-29,37-38,44H,7-9,20,24-26H2,1-6H3,(H,43,47);1H/t28-,29+,37-,38-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C42H52N4O7S
Molecular Weight	756.95
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
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 19:14:18 UTC 2023` Edited by `admin` on `Fri Dec 15 19:14:18 UTC 2023`
Record UNII	OY7B59FYJE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SSR-240612

Common Name

English

SSR 240612

Common Name

English

(2R)-2-(((3R)-3-(1,3-BENZODIOXOL-5-YL)-3-(((6-METHOXY-2-NAPHTHYL)SULFONYL)AMINO)PROPANOYL)AMINO)-3-(4-(((2R,6S)-2,6-DIMETHYLPIPERIDINYL)METHYL)PHENYL)-N-ISOPROPYL-N-METHYLPROPANAMIDE HYDROCHLORIDE

Common Name

English

SSR240612

Common Name

English

D-PHENYLALANINAMIDE, (3R)-3-(1,3-BENZODIOXOL-5-YL)-N-((6-METHOXY-2-NAPHTHALENYL)SULFONYL)-.BETA.-ALANYL-4-(((2R,6S)-2,6-DIMETHYL-1-PIPERIDINYL)METHYL)-N-METHYL-N-(1-METHYLETHYL)-, HYDROCHLORIDE (1:1)

Common Name

English

Code System Code Type Description

CAS

464930-42-5