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144732-34-3 | L-Proline, 1-[N-(3,7-diamino-2-hydroxy-1-oxoheptyl)-L-leucyl]-, [S-(R*,S*)]- (9CI)
CAS No: 144732-34-3 Catalog No: AG001K2E MDL No:
Product Description
Catalog Number:
AG001K2E
Chemical Name:
L-Proline, 1-[N-(3,7-diamino-2-hydroxy-1-oxoheptyl)-L-leucyl]-, [S-(R*,S*)]- (9CI)
CAS Number:
144732-34-3
Molecular Formula:
C18H34N4O5
Molecular Weight:
386.4864
IUPAC Name:
(2S)-1-[(2S)-3-amino-2-[(7-amino-2-hydroxyheptanoyl)amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C18H34N4O5/c1-11(2)14(20)15(17(25)22-10-6-7-12(22)18(26)27)21-16(24)13(23)8-4-3-5-9-19/h11-15,23H,3-10,19-20H2,1-2H3,(H,21,24)(H,26,27)/t12-,13?,14?,15-/m0/s1
InChI Key:
UQMXTPPOHMWXRJ-PPWQZUPISA-N
SMILES:
NCCCCCC(C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C(C)C)N)O
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
386.253g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
386.493g/mol
Monoisotopic Mass:
386.253g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
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