chempirical

Leupeptin hemisulfate

C20H40N6O8SCAS 103476-89-7524.63 g/mol

Open in Covalent MOL file
OHNOHNONHONHNHNH2OSOHOOH
AldehydeGuanidine

Properties

Molecular formula
C20H40N6O8S
Molar mass
524.63 g/mol
Exact mass
524.2628 Da
logP
1.88Crippen estimate
Polar surface area
251.3 Ų
H-bond donors / acceptors
8 / 7
Rotatable bonds
14
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
103476-89-7
SMILES
CC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C=O)CCCNC(=N)N.O=S(=O)(O)O
InChIKey
IBDASEYBOOUHFZ-FRKSIBALSA-N
InChI
InChI=1S/C20H38N6O4.H2O4S/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22;1-5(2,3)4/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23);(H2,1,2,3,4)/t15-,16-,17-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • L-Leucinamide, N-acetyl-L-leucyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-formylbutyl]-, sulfate (2:1)
  • L-Leucinamide, N-acetyl-L-leucyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-, (S)-, sulfate (2:1)

Work with Leupeptin hemisulfate

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

N-Acetyl-L-leucyl-N-[(1S)-1-formyl-3-(methylthio)propyl]-L-leucinamide110115-07-654 % similar N-Acetyl-L-arginine155-84-048 % similar E-6466701-25-544 % similar 1,4-Diguanidinobutane sulfate14923-17-242 % similar Agmatine sulfate2482-00-041 % similar Calpeptin117591-20-538 % similar Guanethidine monosulfate645-43-237 % similar Mg132133407-82-635 % similar

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

Elsewhere

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