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131483-41-5 | L-Prolinamide, L-histidyl-N-2-naphthalenyl- (9CI)
CAS No: 131483-41-5 Catalog No: AG000W9W MDL No:
Product Description
Catalog Number:
AG000W9W
Chemical Name:
L-Prolinamide, L-histidyl-N-2-naphthalenyl- (9CI)
CAS Number:
131483-41-5
Molecular Formula:
C21H23N5O2
Molecular Weight:
377.4396
IUPAC Name:
(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide
InChI:
InChI=1S/C21H23N5O2/c22-18(11-17-12-23-13-24-17)21(28)26-9-3-6-19(26)20(27)25-16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,12-13,18-19H,3,6,9,11,22H2,(H,23,24)(H,25,27)/t18-,19-/m0/s1
InChI Key:
WSALVJKZXXZPMA-OALUTQOASA-N
SMILES:
O=C([C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)N)Nc1ccc2c(c1)cccc2
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
377.185g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
377.448g/mol
Monoisotopic Mass:
377.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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