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114728-17-5 | L-Argininamide, N-[(phenylmethoxy)carbonyl]-L-tyrosyl- (9CI)
CAS No: 114728-17-5 Catalog No: AG000F4A MDL No:
Product Description
Catalog Number:
AG000F4A
Chemical Name:
L-Argininamide, N-[(phenylmethoxy)carbonyl]-L-tyrosyl- (9CI)
CAS Number:
114728-17-5
Molecular Formula:
C23H30N6O5
Molecular Weight:
470.5215
IUPAC Name:
benzyl N-[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C23H30N6O5/c24-20(31)18(7-4-12-27-22(25)26)28-21(32)19(13-15-8-10-17(30)11-9-15)29-23(33)34-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19,30H,4,7,12-14H2,(H2,24,31)(H,28,32)(H,29,33)(H4,25,26,27)
InChI Key:
XHRLSZPMDVMDJO-UHFFFAOYSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc1ccccc1
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.228g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
470.53g/mol
Monoisotopic Mass:
470.228g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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