UK-156406

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H33N5O5S
Molecular Weight	539.646
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCC2=CC=C(C=C2C1)S(=O)(=O)N[C@@H](CC3=CC=C(C=C3)C(N)=N)C(=O)N4CCC(C)=C[C@@H]4C(O)=O

InChI

InChIKey=JVAXRRYVMKHLDD-BJKOFHAPSA-N

InChI=1S/C27H33N5O5S/c1-17-9-12-32(24(13-17)27(34)35)26(33)23(14-18-3-5-20(6-4-18)25(28)29)30-38(36,37)22-8-7-19-10-11-31(2)16-21(19)15-22/h3-8,13,15,23-24,30H,9-12,14,16H2,1-2H3,(H3,28,29)(H,34,35)/t23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H33N5O5S
Molecular Weight	539.646
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:08:52 GMT 2025` Edited by `admin` on `Mon Mar 31 23:08:52 GMT 2025`
Record UNII	2ECU894LC4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

UK-156406

Code

English

UK156406

Preferred Name

English

2-Pyridinecarboxylic acid, 1-[(2S)-3-[4-(aminoiminomethyl)phenyl]-1-oxo-2-[[(1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl]amino]propyl]-1,2,5,6-tetrahydro-4-methyl-, (2R)-

Systematic Name

English

(2R)-1-[(2S)-3-[4-(Aminoiminomethyl)phenyl]-1-oxo-2-[[(1,2,3,4-tetrahydro-2-methyl-7-isoquinolinyl)sulfonyl]amino]propyl]-1,2,5,6-tetrahydro-4-methyl-2-pyridinecarboxylic acid

Systematic Name

English

Code System Code Type Description

CAS

228581-97-3