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155575-02-3 | L-Argininamide, 5-oxo-L-prolyl-L-arginyl-L-threonyl-L-lysyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
CAS No: 155575-02-3 Catalog No: AG001NZR MDL No:
Product Description
Catalog Number:
AG001NZR
Chemical Name:
L-Argininamide, 5-oxo-L-prolyl-L-arginyl-L-threonyl-L-lysyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
CAS Number:
155575-02-3
Molecular Formula:
C37H57N13O9
Molecular Weight:
827.9302
IUPAC Name:
N-[1-[[1-[[6-amino-1-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
InChI:
InChI=1S/C37H57N13O9/c1-19-17-29(53)59-27-18-21(10-11-22(19)27)45-31(54)24(8-5-15-43-36(39)40)47-32(55)23(7-3-4-14-38)49-35(58)30(20(2)51)50-34(57)25(9-6-16-44-37(41)42)48-33(56)26-12-13-28(52)46-26/h10-11,17-18,20,23-26,30,51H,3-9,12-16,38H2,1-2H3,(H,45,54)(H,46,52)(H,47,55)(H,48,56)(H,49,58)(H,50,57)(H4,39,40,43)(H4,41,42,44)
InChI Key:
ZJRJBAKJWMHKFK-UHFFFAOYSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)CCCNC(=N)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCCNC(=N)N
Properties
Complexity:
1600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
827.44g/mol
Formal Charge:
0
Heavy Atom Count:
59
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
12
Isotope Atom Count:
0
Molecular Weight:
827.945g/mol
Monoisotopic Mass:
827.44g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
376A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
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