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101770-20-1 | L-Argininamide, N-[(2Z)-3-carboxy-1-oxo-2-propenyl]-L-phenylalanyl- (9CI)
CAS No: 101770-20-1 Catalog No: AG0005GW MDL No:
Product Description
Catalog Number:
AG0005GW
Chemical Name:
L-Argininamide, N-[(2Z)-3-carboxy-1-oxo-2-propenyl]-L-phenylalanyl- (9CI)
CAS Number:
101770-20-1
Molecular Formula:
C19H26N6O5
Molecular Weight:
418.4469
IUPAC Name:
4-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C19H26N6O5/c20-17(29)13(7-4-10-23-19(21)22)25-18(30)14(11-12-5-2-1-3-6-12)24-15(26)8-9-16(27)28/h1-3,5-6,8-9,13-14H,4,7,10-11H2,(H2,20,29)(H,24,26)(H,25,30)(H,27,28)(H4,21,22,23)
InChI Key:
FTTCNAVYJPWRIO-UHFFFAOYSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\C(=O)O
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.196g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
418.454g/mol
Monoisotopic Mass:
418.196g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.3
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