Products
  • Products
  • Cas lib
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed M   > MK-677

MK-677

CAS No.:159752-10-0
Molecular Weight:624.776
Molecular Formula:C27H36N4O5S.CH4O3S (Products with the same molecular formula)
MOL File:159752-10-0.mol
Names and Identifiers
Synonyms

2-Amino-N-[(1R)-2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4'-piperidin]-1'-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-2-methylpropanamide methanesulfonateMK-677

Inchi
InChI=1/C27H36N4O5S.CH4O3S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27;1-5(2,3)4/h4-12,22H,13-19,28H2,1-3H3,(H,29,33);1H3,(H,2,3,4)/t22-;/m1./s1
Canonical Smiles
CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=O)C)N.CS(=O)(=O)O
Isomers Smiles
CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CN(C4=CC=CC=C34)S(=O)(=
O)C)N.CS(=O)(=O)O
Properties
Boiling Point
868.9°C at 760 mmHg
Vapour
3.05E-32mmHg at 25°C
Flash Point
479.3°C
Computational chemical data

Molecular Weight:624.7692 [g/mol]
Molecular Formula:C28H40N4O8S2
H-Bond Donor:3
H-Bond Acceptor:10
Rotatable Bond Count:8
Tautomer Count:2
Exact Mass:624.228756
MonoIsotopic Mass:624.228756
Topological Polar Surface Area:193
Heavy Atom Count:42
Formal Charge:0
Complexity:1010
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Recommended Suppliers
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-27-59721024
  • Fax:86-27-59721024
  • Tel:86-512-66702819
  • Fax:86-512-66157101
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
AOPHARM 6YRS
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-25-52113793
  • Fax:86-25-52113793
  • Tel:0000-0000-00000000
  • Fax:0000-0000-00000000
  • Tel:0086-319-3157755
  • Fax:0086-319-3157755