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10047-08-2 | Phenylalanine, N-[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]-
CAS No: 10047-08-2 Catalog No: AG000TC8 MDL No:
Product Description
Catalog Number:
AG000TC8
Chemical Name:
Phenylalanine, N-[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]-
CAS Number:
10047-08-2
Molecular Formula:
C21H24Cl2N2O3
Molecular Weight:
423.3329
IUPAC Name:
(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C21H24Cl2N2O3/c22-10-12-25(13-11-23)18-8-6-17(7-9-18)15-20(26)24-19(21(27)28)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,24,26)(H,27,28)/t19-/m0/s1
InChI Key:
WOJORPYBSQEBBK-IBGZPJMESA-N
SMILES:
ClCCN(c1ccc(cc1)CC(=O)N[C@H](C(=O)O)Cc1ccccc1)CCCl
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
422.116g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
423.334g/mol
Monoisotopic Mass:
422.116g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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