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178885-52-4 | L-Proline, L-leucyl-L-prolyl-L-alanyl-L-leucyl- (9CI)
CAS No: 178885-52-4 Catalog No: AG0026HA MDL No:
Product Description
Catalog Number:
AG0026HA
Chemical Name:
L-Proline, L-leucyl-L-prolyl-L-alanyl-L-leucyl- (9CI)
CAS Number:
178885-52-4
Molecular Formula:
C25H43N5O6
Molecular Weight:
509.6388
IUPAC Name:
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C25H43N5O6/c1-14(2)12-17(26)23(33)29-10-6-8-19(29)22(32)27-16(5)21(31)28-18(13-15(3)4)24(34)30-11-7-9-20(30)25(35)36/h14-20H,6-13,26H2,1-5H3,(H,27,32)(H,28,31)(H,35,36)/t16-,17-,18-,19-,20-/m0/s1
InChI Key:
HOTLDFPLUGQKJZ-HVTWWXFQSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)N)C)C
Properties
Complexity:
832
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
509.321g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
509.648g/mol
Monoisotopic Mass:
509.321g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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