Ethyl (2R,4R)-1-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H36N6O7
Molecular Weight	472.5358
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl (2R,4R)-1-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-[[imino(nitroamino)methyl]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)NC(=O)OC(C)(C)C

InChI

InChIKey=IXUJSLMIDVNADJ-QLFBSQMISA-N

InChI=1S/C20H36N6O7/c1-6-32-17(28)15-12-13(2)9-11-25(15)16(27)14(23-19(29)33-20(3,4)5)8-7-10-22-18(21)24-26(30)31/h13-15H,6-12H2,1-5H3,(H,23,29)(H3,21,22,24)/t13-,14+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H36N6O7
Molecular Weight	472.5358
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 19:35:44 GMT 2023` Edited by `admin` on `Sat Dec 16 19:35:44 GMT 2023`
Record UNII	3R5KS98YUK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl (2R,4R)-1-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylate

Systematic Name

English

2-Piperidinecarboxylic acid, 1-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-, ethyl ester, (2R,4R)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

74874-07-0

Created by admin on Sat Dec 16 19:35:44 GMT 2023 , Edited by admin on Sat Dec 16 19:35:44 GMT 2023

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PUBCHEM

70855894

Created by admin on Sat Dec 16 19:35:44 GMT 2023 , Edited by admin on Sat Dec 16 19:35:44 GMT 2023

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FDA UNII

3R5KS98YUK

Created by admin on Sat Dec 16 19:35:44 GMT 2023 , Edited by admin on Sat Dec 16 19:35:44 GMT 2023

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