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MK-677

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SKU: EX185189-25MG Category:
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CID

6450830
CAS

159752-10-0
InChI

InChI=1S/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
InChIKey

DUGMCDWNXXFHDE-VZYDHVRKSA-N
Isomeric 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
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
IUPAC Name

2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3, 4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methanesulfonic acid
Molecular Formula

C28H40N4O8S2
Molecular Weight

624.8
Monoisotopic Mass

624.22875659
Polar Area

193
Complexity

1010
Heavy Atom Count

42
Hydrogen Bond Donor Count

3
Hydrogen Bond Acceptor Count

10
Rotatable Bond Count

8
Physical Appearance

Clear Liquid
Stability

Room Temperature

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