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166535-24-6 | L-Argininamide, N-(2,4-dinitrophenyl)-L-alanyl-L-alanyl-L-leucyl- (9CI)
CAS No: 166535-24-6 Catalog No: AG001WTH MDL No:
Product Description
Catalog Number:
AG001WTH
Chemical Name:
L-Argininamide, N-(2,4-dinitrophenyl)-L-alanyl-L-alanyl-L-leucyl- (9CI)
CAS Number:
166535-24-6
Molecular Formula:
C24H38N10O8
Molecular Weight:
594.6207
IUPAC Name:
(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-(2,4-dinitroanilino)propanoyl]amino]propanoyl]amino]-4-methylpentanamide
InChI:
InChI=1S/C24H38N10O8/c1-12(2)10-18(23(38)31-17(20(25)35)6-5-9-28-24(26)27)32-22(37)14(4)30-21(36)13(3)29-16-8-7-15(33(39)40)11-19(16)34(41)42/h7-8,11-14,17-18,29H,5-6,9-10H2,1-4H3,(H2,25,35)(H,30,36)(H,31,38)(H,32,37)(H4,26,27,28)/t13-,14-,17-,18-/m0/s1
InChI Key:
LDWKNOOLIMFGIT-USJZOSNVSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C)C)C
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
594.287g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
594.63g/mol
Monoisotopic Mass:
594.287g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
299A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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