AC1MHILX

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]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate

Also Known As: Glycinamide, N(sup 2),N(sup 6)-bis((1,1-dimethylethoxy)carbonyl)-D-lysyl-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-|N~2~,N~6~-Bis(tert-butoxycarbonyl)-D-lysyl-L-prolyl-L-leucylglycyl-N-({4-[bis(2-chloroethyl)amino]anilino}acetyl)-L-prolinamide|TERT-BUTYL N-[(2R)-1-[(2S)-2-[[(1S)-1-[[2-[(2S)-2-[[2-[[4-[BIS(2-CHLOROETHYL)AMINO]PHENYL]AMINO]ACETYL]CARBAMOYL]PYRROLIDIN-1-YL]-2-OXO-ETHYL]CARBAMOYL]-3-METHYL-BUTYL]CARBAMOYL]PYRROLIDIN-1-YL]-1-OXO-6-(BOC-AMINO)HEXAN-2-YL]CARBAMATE|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]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate

Molecular Formula	C46H73Cl2N9O10
Molecular Weight	981.4857 g/mol
LogP	4.2427
Topological Polar Surface Area	236.92 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	23
Exact Mass	981.4857
Monoisotopic Mass	981.4857
Heavy Atoms	67
Complexity	1834.7255

Chemical Identifiers

CAS Number	68427-00-9
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](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C