200,000+ products from a single source!
sales@angenechem.com
844879-87-4 | D-Proline, 4-[bis(2-chloroethyl)amino]-L-phenylalanyl-
CAS No: 844879-87-4 Catalog No: AG004S0H MDL No:
Product Description
Catalog Number:
AG004S0H
Chemical Name:
D-Proline, 4-[bis(2-chloroethyl)amino]-L-phenylalanyl-
CAS Number:
844879-87-4
Molecular Formula:
C18H25Cl2N3O3
Molecular Weight:
402.3154
IUPAC Name:
(2R)-1-[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C18H25Cl2N3O3/c19-7-10-22(11-8-20)14-5-3-13(4-6-14)12-15(21)17(24)23-9-1-2-16(23)18(25)26/h3-6,15-16H,1-2,7-12,21H2,(H,25,26)/t15-,16+/m0/s1
InChI Key:
QDFGLPROGONCOF-JKSUJKDBSA-N
SMILES:
ClCCN(c1ccc(cc1)C[C@@H](C(=O)N1CCC[C@@H]1C(=O)O)N)CCCl
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
401.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.316g/mol
Monoisotopic Mass:
401.127g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.