Cgppmg-dap

(2S)-2-amino-3-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[2-[[(2S)-1-[(2R)-2-formyl-2,5-dihydropyrrol-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]propanamide

Also Known As: Cgppmg-dap|Cyclo(gly-phe-pro-N(beta)-(N-mal-gly)-dap)|Cyclo(glycyl-phenylalanyl-prolyl-N(beta)-(N-maleoylglycyl)-alpha,beta-diaminopropanoyl)|Cyclo(gly-L-phe-D-pro-N(beta)-(N-mal-gly)-L-dap)|Cyclo(glycyl-L-phenylalanyl-D-prolyl-N(beta)-(N-maleoylglycyl)-L-alpha,beta-diaminopropanoyl)|(2S)-2-amino-3-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[2-[[(2S)-1-[(2R)-2-formyl-2,5-dihydropyrrol-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]propanamide|Cyclic(3-(((2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)acetyl)amino)-L-alanylglycyl-L-phenylalanyl-D-prolyl)|cyclo(glycyl-L-phenylalanyl-D-prolyl-N|A-(N-maleoylglycyl)-L-|A,|A-diaminopropanoyl)|N-[(2S)-2-Amino-3-{[2-({(2S)-1-[(2R)-2-formyl-2,5-dihydro-1H-pyrrol-1-yl]-1-oxo-3-phenylpropan-2-yl}amino)-2-oxoethyl]amino}-3-oxopropyl]-2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamide

Molecular Formula	C25H28N6O7
Molecular Weight	524.20197 g/mol
LogP	-1.9
Topological Polar Surface Area	188.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	12
Exact Mass	524.20197
Monoisotopic Mass	524.20197
Heavy Atoms	38
Complexity	1000.0

Chemical Identifiers

CAS Number	77087-68-4
SMILES	C1C=C[C@@H](N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CNC(=O)CN3C(=O)C=CC3=O)N)C=O
InChIKey	NKWRGZBPAUARKX-QYZOEREBSA-N