Home Carboxys (S,E)-12-(9H-fluoren-9-yl)-3-(methylamino)-10-oxo-11-oxa-2,4,9-triazadodec-2-ene-8-carboxylic acid

(S,E)-12-(9H-fluoren-9-yl)-3-(methylamino)-10-oxo-11-oxa-2,4,9-triazadodec-2-ene-8-carboxylic acid

CAS No.:
823780-66-1
Catalog Number:
AG0053H9
Molecular Formula:
C23H28N4O4
Molecular Weight:
424.4928
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Product Description
Catalog Number:
AG0053H9
Chemical Name:
(S,E)-12-(9H-fluoren-9-yl)-3-(methylamino)-10-oxo-11-oxa-2,4,9-triazadodec-2-ene-8-carboxylic acid
CAS Number:
823780-66-1
Molecular Formula:
C23H28N4O4
Molecular Weight:
424.4928
MDL Number:
MFCD15146390
IUPAC Name:
(2S)-5-[(N,N'-dimethylcarbamimidoyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
InChI:
InChI=1S/C23H28N4O4/c1-24-22(25-2)26-13-7-12-20(21(28)29)27-23(30)31-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19-20H,7,12-14H2,1-2H3,(H,27,30)(H,28,29)(H2,24,25,26)/t20-/m0/s1
InChI Key:
DQWCPMLQUQTZMJ-FQEVSTJZSA-N
SMILES:
CN/C(=N\C)/NCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
619  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
424.211g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
424.501g/mol
Monoisotopic Mass:
424.211g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties