Ethyl (2R,4R)-1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H35N7O7S
Molecular Weight	577.653
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl (2R,4R)-1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylate

Structure Search

SMILES

CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NS(=O)(=O)C2=CC=CC3=C2N=CC(C)=C3

InChI

InChIKey=DWOYDKNIEZWRDH-LSTHTHJFSA-N

InChI=1S/C25H35N7O7S/c1-4-39-24(34)20-14-16(2)10-12-31(20)23(33)19(8-6-11-27-25(26)29-32(35)36)30-40(37,38)21-9-5-7-18-13-17(3)15-28-22(18)21/h5,7,9,13,15-16,19-20,30H,4,6,8,10-12,14H2,1-3H3,(H3,26,27,29)/t16-,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H35N7O7S
Molecular Weight	577.653
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:34:24 GMT 2023` Edited by `admin` on `Sat Dec 16 19:34:24 GMT 2023`
Record UNII	XB7SBV253N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl (2R,4R)-1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylate

Systematic Name

English

2-Piperidinecarboxylic acid, 1-[5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, ethyl ester, [2R-[1(S*),2α,4β]]-

Systematic Name

English

2-Piperidinecarboxylic acid, 1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, ethyl ester, (2R,4R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10453265

Created by admin on Sat Dec 16 19:34:24 GMT 2023 , Edited by admin on Sat Dec 16 19:34:24 GMT 2023

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FDA UNII

XB7SBV253N

Created by admin on Sat Dec 16 19:34:24 GMT 2023 , Edited by admin on Sat Dec 16 19:34:24 GMT 2023

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CAS

74874-09-2

Created by admin on Sat Dec 16 19:34:24 GMT 2023 , Edited by admin on Sat Dec 16 19:34:24 GMT 2023

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PUBCHEM

11050116

Created by admin on Sat Dec 16 19:34:24 GMT 2023 , Edited by admin on Sat Dec 16 19:34:24 GMT 2023

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