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132210-62-9 | Pyrrolo[1,2-c]pyrimidine-4-carboxylic acid, 1-amino-3,5,6,7-tetrahydro-3-undecyl-, 4-[(aminoiminomethyl)amino]butyl ester, (3S)-
CAS No: 132210-62-9 Catalog No: AG0010EH MDL No:
Product Description
Catalog Number:
AG0010EH
Chemical Name:
Pyrrolo[1,2-c]pyrimidine-4-carboxylic acid, 1-amino-3,5,6,7-tetrahydro-3-undecyl-, 4-[(aminoiminomethyl)amino]butyl ester, (3S)-
CAS Number:
132210-62-9
Molecular Formula:
C24H44N6O2
Molecular Weight:
448.6452
IUPAC Name:
4-(diaminomethylideneamino)butyl 1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
InChI:
InChI=1S/C24H44N6O2/c1-2-3-4-5-6-7-8-9-10-14-19-21(20-15-13-17-30(20)24(27)29-19)22(31)32-18-12-11-16-28-23(25)26/h19H,2-18H2,1H3,(H2,27,29)(H4,25,26,28)
InChI Key:
LNRWFIMDKWPBJL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC[C@@H]1N=C(N)N2C(=C1C(=O)OCCCCNC=NN)CCC2
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.353g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
448.656g/mol
Monoisotopic Mass:
448.353g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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