chempirical

Felypressin

C46H65N13O11S2CAS 56-59-71040.23 g/mol

Open in Covalent MOL file
NOSSONHONHONHONHONHOH2NONH2NH2ONHH2NONHONH2
AmideDisulfideLactamPrimary amine

Properties

Molecular formula
C46H65N13O11S2
Molar mass
1040.23 g/mol
Exact mass
1039.4368 Da
logP
-4.03Crippen estimate
Polar surface area
405.3 Ų
H-bond donors / acceptors
12 / 15
Rotatable bonds
19
Stereocentres
S, R, R, S, S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
56-59-7
SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=CC=C4)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N
InChIKey
SFKQVVDKFKYTNA-DZCXQCEKSA-N
InChI
InChI=1S/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

Weigh it out

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

Work with Felypressin

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

Lypressin50-57-792 % similar Ornipressin3397-23-788 % similar Argipressine113-79-177 % similar Desmopressin16679-58-665 % similar Oxytocin50-56-664 % similar Vasotocin9034-50-863 % similar Substance P33507-63-056 % similar Atosiban90779-69-454 % similar

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

Elsewhere

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