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872835-31-9 | L-Lysinamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-L-leucyl-
CAS No: 872835-31-9 Catalog No: AG004PEE MDL No:
Product Description
Catalog Number:
AG004PEE
Chemical Name:
L-Lysinamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-L-leucyl-
CAS Number:
872835-31-9
Molecular Formula:
C27H39N5O4
Molecular Weight:
497.6297
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanamide
InChI:
InChI=1S/C27H39N5O4/c1-17(2)14-23(26(35)31-22(25(29)34)10-6-7-13-28)32-27(36)24(30-18(3)33)16-19-11-12-20-8-4-5-9-21(20)15-19/h4-5,8-9,11-12,15,17,22-24H,6-7,10,13-14,16,28H2,1-3H3,(H2,29,34)(H,30,33)(H,31,35)(H,32,36)/t22-,23-,24+/m0/s1
InChI Key:
QEEIEZJJYQGCTM-KMDXXIMOSA-N
SMILES:
NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)CC(C)C
Properties
Complexity:
744
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
497.3g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
497.64g/mol
Monoisotopic Mass:
497.3g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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