Ethyl (2R,4R)-1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylate

Details

Stereochemistry	EPIMERIC
Molecular Formula	C25H40N6O5S
Molecular Weight	536.687
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl (2R,4R)-1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylate

Structure Search

SMILES

CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C2=C3NCC(C)CC3=CC=C2

InChI

InChIKey=OQUZJZRZDUBLPU-QVWUYWAGSA-N

InChI=1S/C25H40N6O5S/c1-4-36-24(33)20-14-16(2)10-12-31(20)23(32)19(8-6-11-28-25(26)27)30-37(34,35)21-9-5-7-18-13-17(3)15-29-22(18)21/h5,7,9,16-17,19-20,29-30H,4,6,8,10-15H2,1-3H3,(H4,26,27,28)/t16-,17?,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H40N6O5S
Molecular Weight	536.687
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:47:57 GMT 2023` Edited by `admin` on `Sat Dec 16 19:47:57 GMT 2023`
Record UNII	8778X5T7JF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl (2R,4R)-1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylate

Systematic Name

English

2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-, ethyl ester, (2R,4R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

163202957

Created by admin on Sat Dec 16 19:47:57 GMT 2023 , Edited by admin on Sat Dec 16 19:47:57 GMT 2023

PRIMARY

CAS

2739760-40-6

Created by admin on Sat Dec 16 19:47:57 GMT 2023 , Edited by admin on Sat Dec 16 19:47:57 GMT 2023

PRIMARY

FDA UNII

8778X5T7JF

Created by admin on Sat Dec 16 19:47:57 GMT 2023 , Edited by admin on Sat Dec 16 19:47:57 GMT 2023

PRIMARY