tert-Butyloxycarbonyl-phenylalanyl-prolyl-arginal

tert-butyl N-[(2R)-1-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Also Known As: Boc-D-phe-pro-arg-al|Gyki 14,451|Gyki 14451|GYKI-14,451|tert-Butyloxycarbonyl-phenylalanyl-prolyl-arginal|tert-Butyl-oxy-carbonyl-D-phe-pro-arg-al|LY 178207|tert-butyl N-[(2R)-1-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate|L-Prolinamide, N-((1,1-dimethylethoxy)carbonyl)-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, (S)-|n-{(2r)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoyl}-1-{(2s)-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-l-prolinamide|(2R)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-{1-[(2S)-5-(carbamimidoylamino)-1-oxopentan-2-yl]-L-prolyl}-3-phenylpropanimidic acid|2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-[1-(5-carbamimidamido-1-oxopentan-2-yl)prolyl]-3-phenylpropanimidic acid

Molecular Formula	C25H38N6O5
Molecular Weight	502.29037 g/mol
LogP	1.4
Topological Polar Surface Area	169.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	13
Exact Mass	502.29037
Monoisotopic Mass	502.29037
Heavy Atoms	36
Complexity	786.0

Chemical Identifiers

CAS Number	2437-62-9
SMILES	CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC(=O)[C@@H]2CCCN2[C@@H](CCCN=C(N)N)C=O
InChIKey	BAZSPDFNICLXAX-ZCNNSNEGSA-N