L-Prolinamide, N-(chloroacetyl)-L-alanyl-L-phenylalanyl-

(2S)-1-[(2S)-2-[[(2S)-2-[(2-chloroacetyl)amino]propanoyl]amino]-3-phen yl-propanoyl]pyrrolidine-2-carboxamide

Identifiers & Physical Properties

CAS No.	81500-68-7
Molecular formula	C19H25ClN4O4
Average molar mass	408.9 g/mol
Monoisotopic mass	408.156433 g/mol
SMILES	C[C@H](NC(=O)CCl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
InChIKey	MXTZEJWACBIJRW-QEJZJMRPSA-N
PubChem CID	5488713
DTXSID	DTXSID70231147

XLogP	0.9
Topological polar surface area	122
Hydrogen bond donors	3
Hydrogen bond acceptors	4
Rotatable bonds	8
Heavy atoms	28
Formal charge	0
Complexity	594