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Home > Nitro Compounds > 64816-15-5
64816-15-5 | L-Lysinamide, L-valyl-L-leucyl-N-(4-nitrophenyl)-
CAS No: 64816-15-5 Catalog No: AG00H60N MDL No:
Product Description
Catalog Number:
AG00H60N
Chemical Name:
L-Lysinamide, L-valyl-L-leucyl-N-(4-nitrophenyl)-
CAS Number:
64816-15-5
Molecular Formula:
C23H38N6O5
Molecular Weight:
478.5850
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-N-(4-nitrophenyl)hexanamide
InChI:
InChI=1S/C23H38N6O5/c1-14(2)13-19(28-23(32)20(25)15(3)4)22(31)27-18(7-5-6-12-24)21(30)26-16-8-10-17(11-9-16)29(33)34/h8-11,14-15,18-20H,5-7,12-13,24-25H2,1-4H3,(H,26,30)(H,27,31)(H,28,32)/t18-,19-,20-/m0/s1
InChI Key:
CAJXYXPLLJDEOB-UFYCRDLUSA-N
SMILES:
NCCCC[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CC(C)C
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
478.29g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
478.594g/mol
Monoisotopic Mass:
478.29g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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