AC1MHILO

(2S)-N-[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]-1-[2-[[(2S)-2-[[(2S)-1-[(2R)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

Also Known As: Glycinamide, D-lysyl-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-,mono(trifluoroacetate)|(2S)-N-[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]-1-[2-[[(2S)-2-[[(2S)-1-[(2R)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid|Trifluoroacetic acid--D-lysyl-L-prolyl-L-leucylglycyl-N-({4-[bis(2-chloroethyl)amino]anilino}acetyl)-L-prolinamide (1/1)

Molecular Formula	C38H58Cl2F3N9O8
Molecular Weight	895.3738 g/mol
LogP	1.744
Topological Polar Surface Area	249.6 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	11
Rotatable Bonds	21
Exact Mass	895.3738
Monoisotopic Mass	895.3738
Heavy Atoms	60
Complexity	1587.1477

Chemical Identifiers

CAS Number	68426-98-2
SMILES	CC(C)C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC(=O)CNC2=CC=C(C=C2)N(CCCl)CCCl)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CCCCN)N.C(=O)(C(F)(F)F)O