(3S)-3-[[[(2S)-1-[(2S)-2-[[(4-amino-3-chlorophenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-cyanopropanoic acid ethyl ester (CHEBI:93349)

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CHEBI:93349 - (3S)-3-[[[(2S)-1-[(2S)-2-[[(4-amino-3-chlorophenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-cyanopropanoic acid ethyl ester

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ChEBI ID	CHEBI:93349
ChEBI Name	(3S)-3-[[[(2S)-1-[(2S)-2-[[(4-amino-3-chlorophenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-cyanopropanoic acid ethyl ester
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Downloads	Molfile

Formula	C24H32ClN5O5
Net Charge	0
Average Mass	506.003
Monoisotopic Mass	505.20920
SMILES	CCOC(=O)C[C@@H](C#N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C
InChI	InChI=1S/C24H32ClN5O5/c1-5-35-19(31)12-15(13-26)28-22(33)18-7-6-10-30(18)23(34)20(24(2,3)4)29-21(32)14-8-9-17(27)16(25)11-14/h8-9,11,15,18,20H,5-7,10,12,27H2,1-4H3,(H,28,33)(H,29,32)/t15-,18-,20+/m0/s1
InChIKey	WRDZQGGJNDRZDU-ZAAXVRCTSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	(3S)-3-[[[(2S)-1-[(2S)-2-[[(4-amino-3-chlorophenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-cyanopropanoic acid ethyl ester (CHEBI:93349) is a peptide (CHEBI:16670)

Manual Xrefs	Databases
LSM-3722	LINCS