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114315-47-8 | L-Lysinamide, D-prolyl-L-leucyl-N-(3-carboxy-4-hydroxyphenyl)- (9CI)
CAS No: 114315-47-8 Catalog No: AG000B34 MDL No:
Product Description
Catalog Number:
AG000B34
Chemical Name:
L-Lysinamide, D-prolyl-L-leucyl-N-(3-carboxy-4-hydroxyphenyl)- (9CI)
CAS Number:
114315-47-8
Molecular Formula:
C24H37N5O6
Molecular Weight:
491.5805
IUPAC Name:
5-[[6-amino-2-[[4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]hexanoyl]amino]-2-hydroxybenzoic acid
InChI:
InChI=1S/C24H37N5O6/c1-14(2)12-19(29-21(31)17-7-5-11-26-17)23(33)28-18(6-3-4-10-25)22(32)27-15-8-9-20(30)16(13-15)24(34)35/h8-9,13-14,17-19,26,30H,3-7,10-12,25H2,1-2H3,(H,27,32)(H,28,33)(H,29,31)(H,34,35)
InChI Key:
YVFYGZAHQLBPKF-UHFFFAOYSA-N
SMILES:
NCCCC[C@@H](C(=O)Nc1ccc(c(c1)C(=O)O)O)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1)CC(C)C
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.274g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
491.589g/mol
Monoisotopic Mass:
491.274g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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