AC1MHIM0

tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-1-[[2-[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Also Known As: Glycinamide, N-((1,1-dimethoxy)carbonyl)-D-phenylalanyl-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-|N-(tert-Butoxycarbonyl)-D-phenylalanyl-L-prolyl-L-leucylglycyl-N-({4-[bis(2-chloroethyl)amino]anilino}acetyl)-L-prolinamide|tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-1-[[2-[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Molecular Formula	C44H62Cl2N8O8
Molecular Weight	900.40674 g/mol
LogP	3.7904
Topological Polar Surface Area	198.59 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	20
Exact Mass	900.40674
Monoisotopic Mass	900.40674
Heavy Atoms	62
Complexity	1839.6603

Chemical Identifiers

CAS Number	68427-01-0
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](CC4=CC=CC=C4)NC(=O)OC(C)(C)C