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139323-38-9 | Carbamic acid, [(1S)-2-[[(1S)-4-[(aminoiminomethyl)amino]-1-(fluoroacetyl)butyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester (9CI)
CAS No: 139323-38-9 Catalog No: AG001AR0 MDL No:
Product Description
Catalog Number:
AG001AR0
Chemical Name:
Carbamic acid, [(1S)-2-[[(1S)-4-[(aminoiminomethyl)amino]-1-(fluoroacetyl)butyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester (9CI)
CAS Number:
139323-38-9
Molecular Formula:
C24H30FN5O4
Molecular Weight:
471.5245
IUPAC Name:
acetyl fluoride;(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C15H23N5O3.C2H3FO/c16-11(9-10-5-2-1-3-6-10)13(21)20-12(14(22)23)7-4-8-19-15(17)18;1-2(3)4/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19);1H3/t11-,12-;/m0./s1
InChI Key:
BNTGKWVYIWKZOY-FXMYHANSSA-N
SMILES:
NN=CNCCC[C@@H](C(=O)CF)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
383.197g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
383.424g/mol
Monoisotopic Mass:
383.197g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A role for protease activity and host-cell permeability during the process of Trypanosoma cruzi egress from infected cells. | The Journal of parasitology 20071201 |
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