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1820583-16-1 | N-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}glycine
CAS No: 1820583-16-1 Catalog No: AG00J8Y0 MDL No:MFCD11501541
Product Description
Catalog Number:
AG00J8Y0
Chemical Name:
N-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}glycine
CAS Number:
1820583-16-1
Molecular Formula:
C14H17N3O4
Molecular Weight:
291.3025
MDL Number:
MFCD11501541
IUPAC Name:
2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]acetic acid
InChI:
InChI=1S/C14H17N3O4/c18-12-3-1-2-11-10-4-9(7-17(11)12)6-16(8-10)14(21)15-5-13(19)20/h1-3,9-10H,4-8H2,(H,15,21)(H,19,20)/t9-,10-/m0/s1
InChI Key:
NFIMAMRWMUEMAT-UWVGGRQHSA-N
SMILES:
OC(=O)CNC(=O)N1C[C@@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
291.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.307g/mol
Monoisotopic Mass:
291.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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