2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoate (CHEBI:62026)

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CHEBI:62026 - 2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoate

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ChEBI ID	CHEBI:62026
ChEBI Name	2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoate
Stars
Definition	A steroid sulfide consisting of 2,5-dioxo-1-pyrrolidinyl 6-{6-[3-(thiopropionyl)aminohexanoyl]amino}hexanoate having a progesterone-4-yl group attached to the sulfur.
Last Modified	4 May 2011
Submitter	Steve
Downloads	Molfile

Formula	C40H59N3O8S
Net Charge	0
Average Mass	741.992
Monoisotopic Mass	741.40229
SMILES	[H][C@@]12CCC3=C(SCCC(=O)NCCCCCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChI	InChI=1S/C40H59N3O8S/c1-26(44)28-14-15-29-27-12-13-31-38(32(45)19-22-40(31,3)30(27)18-21-39(28,29)2)52-25-20-34(47)42-24-8-4-6-10-33(46)41-23-9-5-7-11-37(50)51-43-35(48)16-17-36(43)49/h27-30H,4-25H2,1-3H3,(H,41,46)(H,42,47)/t27-,28+,29-,30-,39+,40+/m0/s1
InChIKey	XNLGAWHPZFZIKL-IZFKZPRQSA-N

ChEBI Ontology

Outgoing Relation(s)
	2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoate (CHEBI:62026) has functional parent progesterone (CHEBI:17026)
	2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoate (CHEBI:62026) is a 20-oxo steroid (CHEBI:36885)
	2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoate (CHEBI:62026) is a 3-oxo-Δ⁴ steroid (CHEBI:47909)
	2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoate (CHEBI:62026) is a steroid sulfide (CHEBI:62027)

IUPAC Name
6-({3-[(3,20-dioxopregn-4-en-4-yl)sulfanyl]propanoyl}amino)-N-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}hexanamide

Synonyms	Source
2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(pregn-4-ene-3,20-dione-4-yl)thiopropanoyl]aminohexanoyl}amino)hexanoate	ChEBI
2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(pregn-4-ene-3,20-dione-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoate	ChEBI
2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(progesterone-4-yl)thiopropanoyl]aminohexanoyl}amino)hexanoate	ChEBI

Registry Numbers	Sources
Reaxys:9248002	Reaxys

Citations