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114390-34-0 | Glycinamide, L-prolyl-L-phenylalanyl- (9CI)
CAS No: 114390-34-0 Catalog No: AG000B7H MDL No:
Product Description
Catalog Number:
AG000B7H
Chemical Name:
Glycinamide, L-prolyl-L-phenylalanyl- (9CI)
CAS Number:
114390-34-0
Molecular Formula:
C16H22N4O3
Molecular Weight:
318.3709
IUPAC Name:
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C16H22N4O3/c17-14(21)10-19-15(22)13(9-11-5-2-1-3-6-11)20-16(23)12-7-4-8-18-12/h1-3,5-6,12-13,18H,4,7-10H2,(H2,17,21)(H,19,22)(H,20,23)/t12-,13-/m0/s1
InChI Key:
QQGCHENFDLCECR-STQMWFEESA-N
SMILES:
NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
318.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
318.377g/mol
Monoisotopic Mass:
318.169g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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