cyclo(L-valyl-glycyl-glycyl-L-prolyl)3

(2S)-1-[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]-N-[2-[[2-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide

Also Known As: Cyclo(L-val-gly-gly-L-pro)3|Cyclo(L-valyl-glycyl-glycyl-L-prolyl)3|Cyclic(glycylglycyl-L-valyl-L-prolylglycylglycyl-L-valyl-L-prolylglycylglycyl-L-valyl-L-prolyl)|glycylglycyl-l-valyl-l-prolylglycylglycyl-l-valyl-l-prolylglycyl-n-{(2s)-1-[(2s)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl}glycinamide|(2S)-1-[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]-N-[2-[[2-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide

Molecular Formula	C42H66N12O12
Molecular Weight	930.4923 g/mol
LogP	-2.1
Topological Polar Surface Area	337.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	13
Rotatable Bonds	23
Exact Mass	930.4923
Monoisotopic Mass	930.4923
Heavy Atoms	66
Complexity	1880.0

Chemical Identifiers

CAS Number	5409-81-4
SMILES	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)NCC(=O)N[C@@H](C(=C)C)C(=O)N3CCC[C@H]3C=O)NC(=O)CNC(=O)CN
InChIKey	WWEOVNXEIMNLNE-DIXWMBMLSA-N