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191107-95-6 | L-Lysinamide, N-[(phenylmethoxy)carbonyl]glycyl-L-histidyl- (9CI)
CAS No: 191107-95-6 Catalog No: AG002F21 MDL No:
Product Description
Catalog Number:
AG002F21
Chemical Name:
L-Lysinamide, N-[(phenylmethoxy)carbonyl]glycyl-L-histidyl- (9CI)
CAS Number:
191107-95-6
Molecular Formula:
C22H31N7O5
Molecular Weight:
473.5254
IUPAC Name:
benzyl N-[2-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
InChI:
InChI=1S/C22H31N7O5/c23-9-5-4-8-17(20(24)31)29-21(32)18(10-16-11-25-14-27-16)28-19(30)12-26-22(33)34-13-15-6-2-1-3-7-15/h1-3,6-7,11,14,17-18H,4-5,8-10,12-13,23H2,(H2,24,31)(H,25,27)(H,26,33)(H,28,30)(H,29,32)/t17-,18-/m0/s1
InChI Key:
RUNRZVRNQFGWPR-ROUUACIJSA-N
SMILES:
NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)OCc1ccccc1
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
473.239g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
473.534g/mol
Monoisotopic Mass:
473.239g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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