chempirical

Mk 0677

C28H40N4O8S2CAS 159752-10-0624.77 g/mol

Open in Covalent MOL file
H2NOHNOONNSOOSOOOH
AmideEtherPrimary amineSulfonamideSulfonic acid

Properties

Molecular formula
C28H40N4O8S2
Molar mass
624.77 g/mol
Exact mass
624.2288 Da
logP
2.11Crippen estimate
Polar surface area
179.9 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
159752-10-0
SMILES
CC(C)(N)C(O)=N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.CS(=O)(=O)O
InChIKey
DUGMCDWNXXFHDE-VZYDHVRKSA-N
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

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Names and synonyms

6 names
  • Propanamide, 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-methyl-, methanesulfonate (1:1)
  • Propanamide, 2-amino-N-[2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4′-piperidin]-1′-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-2-methyl-, (R)-, monomethanesulfonate
  • Propanamide, 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-methyl-, monomethanesulfonate
  • Ibutamoren mesylate
  • MK 677
  • Crescendo

Work with Mk 0677

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Dimethylethyl N-[2-[[(1R)-2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4′-piperidin]-1′-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]amino]-1,1-dimethyl-2-oxoethyl]carbamate159634-87-470 % similar Capromorelin193273-66-451 % similar Anamorelin249921-19-537 % similar N-tert-Butoxycarbonyl-O-benzylserine23680-31-133 % similar N-[(Phenylmethoxy)carbonyl]-O-(phenylmethyl)-L-serine20806-43-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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