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128901-55-3 | L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-N-[(1R)-1-[hydroxy[(1S)-2-methoxy-2-oxo-1-(phenylmethyl)ethoxy]phosphinyl]-3-methylbutyl]- (9CI)
CAS No: 128901-55-3 Catalog No: AG000YHC MDL No:
Product Description
Catalog Number:
AG000YHC
Chemical Name:
L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-N-[(1R)-1-[hydroxy[(1S)-2-methoxy-2-oxo-1-(phenylmethyl)ethoxy]phosphinyl]-3-methylbutyl]- (9CI)
CAS Number:
128901-55-3
Molecular Formula:
C29H40N3O9P
Molecular Weight:
605.6164
IUPAC Name:
methyl 2-hydroxy-3-phenylpropanoate;phosphoroso (2S)-4-methyl-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]pentanoate
InChI:
InChI=1S/C20H28N3O7P.C10H12O3/c1-12(2)10-16(19(26)30-31-28)23-18(25)13(3)21-17(24)14(4)22-20(27)29-11-15-8-6-5-7-9-15;1-13-10(12)9(11)7-8-5-3-2-4-6-8/h5-9,12-14,16H,10-11H2,1-4H3,(H,21,24)(H,22,27)(H,23,25);2-6,9,11H,7H2,1H3/t13-,14-,16-;/m0./s1
InChI Key:
HEHGYDNZQRHWEG-LRRYJFTCSA-N
SMILES:
COC(=O)[C@@H](OP(=O)([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C)C)CC(C)C)O)Cc1ccccc1
Properties
Complexity:
800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
633.245g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
633.635g/mol
Monoisotopic Mass:
633.245g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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