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138604-78-1 | L-Argininamide, N-benzoyl-L-isoleucylglycyl-N-(4-nitrophenyl)- (9CI)
CAS No: 138604-78-1 Catalog No: AG0018U2 MDL No:
Product Description
Catalog Number:
AG0018U2
Chemical Name:
L-Argininamide, N-benzoyl-L-isoleucylglycyl-N-(4-nitrophenyl)- (9CI)
CAS Number:
138604-78-1
Molecular Formula:
C27H36N8O6
Molecular Weight:
568.6247
IUPAC Name:
N-[1-[[2-[[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
InChI:
InChI=1S/C27H36N8O6/c1-3-17(2)23(34-24(37)18-8-5-4-6-9-18)26(39)31-16-22(36)33-21(10-7-15-30-27(28)29)25(38)32-19-11-13-20(14-12-19)35(40)41/h4-6,8-9,11-14,17,21,23H,3,7,10,15-16H2,1-2H3,(H,31,39)(H,32,38)(H,33,36)(H,34,37)(H4,28,29,30)
InChI Key:
FPPDMKXYNZGBMN-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)NCC(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])CCCNC(=N)N)NC(=O)c1ccccc1)C
Properties
Complexity:
921
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.276g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
568.635g/mol
Monoisotopic Mass:
568.276g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
227A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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