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84614-60-8 | 6-(N-Carbobenzoxy-alanyl-alanyl-alanylamido)quinoline
CAS No: 84614-60-8 Catalog No: AG00GKKM MDL No:
Product Description
Catalog Number:
AG00GKKM
Chemical Name:
6-(N-Carbobenzoxy-alanyl-alanyl-alanylamido)quinoline
CAS Number:
84614-60-8
IUPAC Name:
benzyl N-[(2S)-1-[[(2S)-2-aminopropanoyl]-[(2S)-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C26H29N5O5/c1-16(27)24(33)31(25(34)17(2)29-26(35)36-15-19-8-5-4-6-9-19)18(3)23(32)30-21-11-12-22-20(14-21)10-7-13-28-22/h4-14,16-18H,15,27H2,1-3H3,(H,29,35)(H,30,32)/t16-,17-,18-/m0/s1
InChI Key:
PKIIMGRIJRIORH-BZSNNMDCSA-N
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
491.217g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
491.548g/mol
Monoisotopic Mass:
491.217g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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