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121584-61-0 | L-Norleucinamide, N-(4-morpholinylcarbonyl)-L-phenylalanyl-N-[(1S)-1-(cyclohexylmethyl)-3,3-difluoro-4-(methylamino)-2,4-dioxobutyl]- (9CI)
CAS No: 121584-61-0 Catalog No: AG0015BL MDL No:
Product Description
Catalog Number:
AG0015BL
Chemical Name:
L-Norleucinamide, N-(4-morpholinylcarbonyl)-L-phenylalanyl-N-[(1S)-1-(cyclohexylmethyl)-3,3-difluoro-4-(methylamino)-2,4-dioxobutyl]- (9CI)
CAS Number:
121584-61-0
Molecular Formula:
C32H47F2N5O6
Molecular Weight:
635.7423
IUPAC Name:
N-[(2S)-1-[[(2S)-2-[[(2S)-1-cyclohexyl-4,4-difluoro-5-(methylamino)-3,5-dioxopentan-2-yl]amino]hexanoyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
InChI:
InChI=1S/C32H47F2N5O6/c1-3-4-15-24(36-25(20-22-11-7-5-8-12-22)27(40)32(33,34)30(43)35-2)28(41)38-29(42)26(21-23-13-9-6-10-14-23)37-31(44)39-16-18-45-19-17-39/h6,9-10,13-14,22,24-26,36H,3-5,7-8,11-12,15-21H2,1-2H3,(H,35,43)(H,37,44)(H,38,41,42)/t24-,25-,26-/m0/s1
InChI Key:
UASBNVCJGQKXON-GSDHBNRESA-N
SMILES:
CCCC[C@@H](C(=O)N[C@H](C(=O)C(C(=O)NC)(F)F)CC1CCCCC1)NC(=O)[C@@H](NC(=O)N1CCOCC1)Cc1ccccc1
Properties
Complexity:
997
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
635.349g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
635.754g/mol
Monoisotopic Mass:
635.349g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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