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  2. (3S,4aS,8aS)-Decahydro-N-(2-hydroxy-1,1-dimethylethyl)-2-[(2R,3R)-2-hydroxy-3-carbobenzyloxyamino-4-phenylthiobutyl]-3-isoquinolinecarboxamide

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

(3S,4aS,8aS)-Decahydro-N-(2-hydroxy-1,1-dimethylethyl)-2-[(2R,3R)-2-hydroxy-3-carbobenzyloxyamino-4-phenylthiobutyl]-3-isoquinolinecarboxamide

OCC(NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@@H](NC(=O)OCc1ccccc1)CSc1ccccc1)O)(C)C Request for Quotation
Chemical Name: (3S,4aS,8aS)-Decahydro-N-(2-hydroxy-1,1-dimethylethyl)-2-[(2R,3R)-2-hydroxy-3-carbobenzyloxyamino-4-phenylthiobutyl]-3-isoquinolinecarboxamide
CAS Number: 213135-55-8
Product Number: AG00C2O0(AGN-PC-0WAHR7)
Synonyms:
MDL No:
Molecular Formula: C32H45N3O5S
Molecular Weight: 583.7818

Identification/Properties

Properties
MP:
126-128˚C
Storage:
2-8℃;
Computed Properties
Molecular Weight:
583.788g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
13
Exact Mass:
583.308g/mol
Monoisotopic Mass:
583.308g/mol
Topological Polar Surface Area:
136A^2
Heavy Atom Count:
41
Formal Charge:
0
Complexity:
817
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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