(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-BUTYRIC ACID (CHEBI:40718)

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CHEBI:40718 - (S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-BUTYRIC ACID

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ChEBI ID	CHEBI:40718
ChEBI Name	(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-BUTYRIC ACID
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Last Modified	17 October 2009
Downloads	Molfile

Formula	C29H50N6O10
Net Charge	0
Average Mass	642.751
Monoisotopic Mass	642.35884
SMILES	[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])N([H])[H]
InChI	InChI=1S/C29H50N6O10/c1-13(2)11-19(24(39)16-7-6-8-17(16)25(40)32-15(5)29(44)45)33-27(42)20(12-21(31)36)34-28(43)23(14(3)4)35-26(41)18(30)9-10-22(37)38/h13-20,23-24,39H,6-12,30H2,1-5H3,(H2,31,36)(H,32,40)(H,33,42)(H,34,43)(H,35,41)(H,37,38)(H,44,45)/t15-,16+,17+,18-,19-,20-,23-,24-/m0/s1
InChIKey	WQVHGVDOXBCVGL-ZPWOCEPRSA-N

ChEBI Ontology

Outgoing Relation(s)
	(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-BUTYRIC ACID (CHEBI:40718) is a unclassifieds (CHEBI:27189)

Synonyms	Source
L-alpha-glutamyl-L-valyl-N~1~-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-1-carboxyethyl]carbamoyl}cyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-aspartamide	PDBeChem
(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-BUTYRIC ACID	PDBeChem

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