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917571-57-4 | L-Histidinamide, glycylglycyl-N-(di-1H-imidazol-2-ylmethyl)-
CAS No: 917571-57-4 Catalog No: AG006PNY MDL No:
Product Description
Catalog Number:
AG006PNY
Chemical Name:
L-Histidinamide, glycylglycyl-N-(di-1H-imidazol-2-ylmethyl)-
CAS Number:
917571-57-4
Molecular Formula:
C17H22N10O3
Molecular Weight:
414.4218
IUPAC Name:
(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[bis(1H-imidazol-2-yl)methyl]-3-(1H-imidazol-5-yl)propanamide
InChI:
InChI=1S/C17H22N10O3/c18-6-12(28)24-8-13(29)26-11(5-10-7-19-9-25-10)17(30)27-14(15-20-1-2-21-15)16-22-3-4-23-16/h1-4,7,9,11,14H,5-6,8,18H2,(H,19,25)(H,20,21)(H,22,23)(H,24,28)(H,26,29)(H,27,30)/t11-/m0/s1
InChI Key:
AUFQEDCFRATZQU-NSHDSACASA-N
SMILES:
NCC(=O)NCC(=O)N[C@H](C(=O)NC(c1[nH]ccn1)c1[nH]ccn1)Cc1nc[nH]c1
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
414.188g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
414.43g/mol
Monoisotopic Mass:
414.188g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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