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102029-92-5 | L-Phenylalanine, L-arginyl-, diacetate (9CI)
CAS No: 102029-92-5 Catalog No: AG0006EO MDL No:MFCD00037260
Product Description
Catalog Number:
AG0006EO
Chemical Name:
L-Phenylalanine, L-arginyl-, diacetate (9CI)
CAS Number:
102029-92-5
Molecular Formula:
C17H27N5O5
Molecular Weight:
381.4268
MDL Number:
MFCD00037260
IUPAC Name:
acetic acid;(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C15H23N5O3.C2H4O2/c16-11(7-4-8-19-15(17)18)13(21)20-12(14(22)23)9-10-5-2-1-3-6-10;1-2(3)4/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19);1H3,(H,3,4)/t11-,12-;/m0./s1
InChI Key:
JYCGKDWKVVHIHV-FXMYHANSSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)N.CC(=O)O
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
381.201g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
381.433g/mol
Monoisotopic Mass:
381.201g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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