Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine

(4S)-5-[[(2S)-4-carboxy-1-[[(1R)-1-carboxy-2-methylpropyl]amino]-1-oxobutan-2-yl]amino]-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

Also Known As: Boc-meglu-glu-val|Butyloxycarbonyl-4-methylene-glutamyl-glutamyl-valine|(4S)-5-[[(2S)-4-carboxy-1-[[(1R)-1-carboxy-2-methylpropyl]amino]-1-oxobutan-2-yl]amino]-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid|(4S)-5-[[(2S)-5-hydroxy-1-[[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid|L-Valine, N-(N-(N-((1,1-dimethylethoxy)carbonyl)-4-methylene-L-alpha-glutamyl)-alpha-glutamyl)-|N-(N-(N-((1,1-Dimethylethoxy)carbonyl)-4-methylene-L-alpha-glutamyl)-alpha-glutamyl)-L-valine|N-[(2S)-2-{[(2S)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-4-carboxy-1-hydroxypent-4-en-1-ylidene]amino}-4-carboxy-1-hydroxybutylidene]-D-valine|N-{2-[(2-{[tert-Butoxy(hydroxy)methylidene]amino}-4-carboxy-1-hydroxypent-4-en-1-ylidene)amino]-4-carboxy-1-hydroxybutylidene}valine

Molecular Formula	C21H33N3O10
Molecular Weight	487.21658 g/mol
LogP	0.9
Topological Polar Surface Area	208.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	15
Exact Mass	487.21658
Monoisotopic Mass	487.21658
Heavy Atoms	34
Complexity	816.0

Chemical Identifiers

CAS Number	95049-79-9
SMILES	CC(C)[C@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=C)C(=O)O)NC(=O)OC(C)(C)C
InChIKey	VCUNMGPIYYXXMQ-KCQAQPDRSA-N