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Home > Nitro Compounds > 791627-41-3
791627-41-3 | L-Alaninamide, L-leucyl-L-tyrosyl-N-(4-nitrophenyl)-
CAS No: 791627-41-3 Catalog No: AG005LMG MDL No:
Product Description
Catalog Number:
AG005LMG
Chemical Name:
L-Alaninamide, L-leucyl-L-tyrosyl-N-(4-nitrophenyl)-
CAS Number:
791627-41-3
Molecular Formula:
C24H31N5O6
Molecular Weight:
485.5328
IUPAC Name:
(2S)-2-amino-N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide
InChI:
InChI=1S/C24H31N5O6/c1-14(2)12-20(25)23(32)28-21(13-16-4-10-19(30)11-5-16)24(33)26-15(3)22(31)27-17-6-8-18(9-7-17)29(34)35/h4-11,14-15,20-21,30H,12-13,25H2,1-3H3,(H,26,33)(H,27,31)(H,28,32)/t15-,20-,21-/m0/s1
InChI Key:
CCFMDNYUOANYPU-JHVJFLLYSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])C)Cc1ccc(cc1)O)N)C
Properties
Complexity:
726
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
485.227g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
485.541g/mol
Monoisotopic Mass:
485.227g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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