1-cyclohexene-1-carboxylic Acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, Ethyl Ester, (3r,4r,5s)-

1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, ethyl ester, [3R-(3α,4β,5α)]-
Ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	MPTCBJSPQVJIPZ-RRFJBIMHSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C16H26N4O4/c1-5-12(6-2)24-14-9-11(16(22)23-7-3)8-13(19-20-17)15(14)18-10(4)21/h9,12-15H,5-8H2,1-4H3,(H,18,21)/t13-,14+,15+/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string	CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N=[N+]=[N-])C1
IUPAC name chemrof:IUPAC_name	1-cyclohexene-1-carboxylic Acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, Ethyl Ester, (3r,4r,5s)-
Molecular formula chemrof:molecular_formula	C16H26N4O4
Molecular mass chemrof:molecular_mass	338.408
Monoisotopic mass chemrof:monoisotopic_mass	338.195405
SMILES string chemrof:smiles_string	CCOC(=O)C1=CC(OC(CC)CC)C(NC(C)=O)C(N=[N+]=[N-])C1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=204255-06-1	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID30942606	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FL2DFL7H8B	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.622.180C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/9967681	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q72444613	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
5b0e2dcf-1c25-428c-9473-0010bef63c1c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
0d8fa058-48a0-48ad-97c9-ef75adc99bd8	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
e6cb84f0-4116-4bb8-a45d-81ef54f2963a	Environmental → Air → Indoor	EF 3.1	kg	4
ffc3182f-c860-45fa-ad1f-010b14bbbb63	Environmental → Air → Long-term	EF 3.1	kg	0
e9c6d32d-4aa3-4939-aeb9-f9e2d42208d3	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
6c72993e-e008-403f-b524-9054ff883527	Environmental → Air → Unknown	EF 3.1	kg	4
c5d8b76d-abe3-43cb-a53c-8757735bffc7	Environmental → Ground → Agricultural	EF 3.1	kg	4
d92c4037-84dd-48bc-a6d7-efd7dd9f25cf	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
66253bd7-7af8-46e1-99a3-8161a913f9e1	Environmental → Ground → Unknown	EF 3.1	kg	4
1a65d3cc-cb85-4fce-9c6e-f0788c916036	Environmental → Water → Long-term	EF 3.1	kg	0
23e1b668-7dff-44ac-85cf-ba5ae8c17c4d	Environmental → Water → Ocean	EF 3.1	kg	4
191c0da5-9c43-4d8e-8aad-280b71fa4b89	Environmental → Water → Surface water	EF 3.1	kg	4
56c815f9-17ff-4c8d-9661-4abc35ba7821	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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1-cyclohexene-1-carboxylic Acid, 4-(acetylamino)-5-azido-3-(1-ethylpropoxy)-, Ethyl Ester, (3r,4r,5s)-

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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