AC1MHILU

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-oxopropan-2-yl]carbamate

Also Known As: Glycinamide, N-((1,1-dimethylethoxy)carbonyl)-D-alanyl-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-|N-(2-{[(1-{N-[tert-Butoxy(hydroxy)methylidene]alanyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-1-hydroxy-4-methylpentylidene)glycyl-N-(2-{4-[bis(2-chloroethyl)amino]anilino}-1-hydroxyethylidene)prolinamide|N-[(2S)-2-({[(2S)-1-{N-[tert-Butoxy(hydroxy)methylidene]-D-alanyl}pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-4-methylpentylidene]glycyl-N-(2-{4-[bis(2-chloroethyl)amino]anilino}-1-hydroxyethylidene)-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-oxopropan-2-yl]carbamate

Molecular Formula	C38H58Cl2N8O8
Molecular Weight	824.3755 g/mol
LogP	2.5676
Topological Polar Surface Area	198.59 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	18
Exact Mass	824.3755
Monoisotopic Mass	824.3755
Heavy Atoms	56
Complexity	1534.1407

Chemical Identifiers

CAS Number	68426-99-3
SMILES	C[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC(=O)CNC3=CC=C(C=C3)N(CCCl)CCCl)NC(=O)OC(C)(C)C