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84793-55-5 | L-Proline, 1-[[(4-aminobutyl)(2-carboxy-4-phenylbutyl)amino]carbonyl]-
CAS No: 84793-55-5 Catalog No: AG004OLN MDL No:
Product Description
Catalog Number:
AG004OLN
Chemical Name:
L-Proline, 1-[[(4-aminobutyl)(2-carboxy-4-phenylbutyl)amino]carbonyl]-
CAS Number:
84793-55-5
Molecular Formula:
C21H31N3O5
Molecular Weight:
405.4879
IUPAC Name:
(2S)-1-[4-aminobutyl-(2-carboxy-4-phenylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C21H31N3O5/c22-12-4-5-13-23(21(29)24-14-6-9-18(24)20(27)28)15-17(19(25)26)11-10-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-15,22H2,(H,25,26)(H,27,28)/t17?,18-/m0/s1
InChI Key:
APLGJPZBNUDSCB-ZVAWYAOSSA-N
SMILES:
NCCCCN(C(=O)N1CCC[C@H]1C(=O)O)CC(C(=O)O)CCc1ccccc1
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
405.226g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
405.495g/mol
Monoisotopic Mass:
405.226g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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