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132418-85-0 | L-Proline, 1-[N-(N-L-leucylglycyl)-L-isoleucyl]- (9CI)
CAS No: 132418-85-0 Catalog No: AG0010OL MDL No:
Product Description
Catalog Number:
AG0010OL
Chemical Name:
L-Proline, 1-[N-(N-L-leucylglycyl)-L-isoleucyl]- (9CI)
CAS Number:
132418-85-0
Molecular Formula:
C19H34N4O5
Molecular Weight:
398.4971
IUPAC Name:
1-[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C19H34N4O5/c1-5-12(4)16(18(26)23-8-6-7-14(23)19(27)28)22-15(24)10-21-17(25)13(20)9-11(2)3/h11-14,16H,5-10,20H2,1-4H3,(H,21,25)(H,22,24)(H,27,28)
InChI Key:
NFAFOJMDIPGLAU-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)N)C
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.253g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
398.504g/mol
Monoisotopic Mass:
398.253g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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