chempirical

Peramivir

C15H28N4O4CAS 229614-55-5328.41 g/mol

Open in Covalent MOL file
NHOHOOOHHNNHH2N
AlcoholCarboxylic acidGuanidine

Properties

Molecular formula
C15H28N4O4
Molar mass
328.41 g/mol
Exact mass
328.2111 Da
logP
0.70Crippen estimate
Polar surface area
152.0 Ų
H-bond donors / acceptors
6 / 4
Rotatable bonds
7
Stereocentres
S, R, S, S, Rin 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
229614-55-5
SMILES
CCC(CC)[C@H](N=C(C)O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N
InChIKey
XRQDFNLINLXZLB-CKIKVBCHSA-N
InChI
InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • Cyclopentanecarboxylic acid, 3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-, (1S,2S,3R,4R)-
  • (1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxycyclopentanecarboxylic acid
  • RWJ 270201
  • BCX 1812
  • Rapiacta
  • (1S,2S,3R,4R)-3-((1S)-1-Acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
  • (1S,2S,3S,4R)-3-((1S)-1-Acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
  • Rapivab
  • Alpivab

Work with Peramivir

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Peramivir trihydrate1041434-82-5Hydrate Peramivir330600-85-6

Similar compounds

N-Acetyl-L-arginine155-84-044 % similar Zanamivir139110-80-841 % similar 2-(Acetylamino)butanoic acid7211-57-639 % similar N2-Acetyl-D-asparagine26117-27-136 % similar N-Acetyl-L-isoleucine3077-46-136 % similar N-Acetylasparagine4033-40-336 % similar N-Acetyl-L-leucine1188-21-234 % similar N-Acetylaspartic acid2545-40-634 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook