4,4-Bis(acetylsarcosyl)synestrol

(2S)-2-[N-acetyl-4-[(2E,4E)-4-[4-[acetyl-[(1S)-2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]amino]phenyl]hexa-2,4-dien-3-yl]anilino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid

Also Known As: Xtl 51|Xtl-51|4,4-Bis(acetylsarcosyl)synestrol|(2S)-2-[N-acetyl-4-[(2E,4E)-4-[4-[acetyl-[(1S)-2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]amino]phenyl]hexa-2,4-dien-3-yl]anilino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid|DL-Phenylalanine, N-acetyl-4-(bis(2-chloroethyl)amino)-, (1,2-diethylidene-1,2-ethanediyl)di-4,1-phenylene ester|(2S)-2-[N-acetyl-4-[(2E,4E)-4-[4-[acetyl-[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]phenyl]hexa-2,4-dien-3-yl]anilino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid

Molecular Formula	C48H54Cl4N4O6
Molecular Weight	922.2797 g/mol
LogP	9.859
Topological Polar Surface Area	121.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	23
Exact Mass	922.2797
Monoisotopic Mass	924.2768
Heavy Atoms	62
Complexity	1996.691

Chemical Identifiers

CAS Number	91147-86-3
SMILES	C/C=C(/C(=C/C)/C1=CC=C(C=C1)N(C(=O)C)[C@H](C(=O)O)CC2=CC=C(C=C2)N(CCCl)CCCl)\C3=CC=C(C=C3)N(C(=O)C)[C@H](C(=O)O)CC4=CC=C(C=C4)N(CCCl)CCCl