N-(6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-L-valyl-N5-(aminocarbonyl)-N-(4-((((4-nitrophenoxy)carbonyl)oxy)methyl)phenyl)-L-ornithinamide

C35H43N7O11CAS 159857-81-5737.77 g/mol

Open in Covalent MOL file
NHONOOONHNHH2NOOHNOOON+OO−
AlkeneAmideCarbonateLactamNitro

Properties

Molecular formula
C35H43N7O11
Molar mass
737.77 g/mol
Exact mass
737.3021 Da
logP
4.90Crippen estimate
Polar surface area
266.4 Ų
H-bond donors / acceptors
6 / 11
Rotatable bonds
20
Stereocentres
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
159857-81-5
SMILES
CC(C)[C@H](N=C(O)CCCCCN1C(=O)C=CC1=O)C(O)=N[C@@H](CCCNC(=N)O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIKey
HYSPJPGXSALJRR-DHIFEGFHSA-N
InChI
InChI=1S/C35H43N7O11/c1-22(2)31(40-28(43)8-4-3-5-20-41-29(44)17-18-30(41)45)33(47)39-27(7-6-19-37-34(36)48)32(46)38-24-11-9-23(10-12-24)21-52-35(49)53-26-15-13-25(14-16-26)42(50)51/h9-18,22,27,31H,3-8,19-21H2,1-2H3,(H,38,46)(H,39,47)(H,40,43)(H3,36,37,48)/t27-,31-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-L-ornithinamide
  • L-Ornithinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-
  • Maleimidocaproyl-L-valine-L-citrulline-p-aminobenzyl alcohol p-nitrophenyl carbonate
  • 4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl(4-nitrophenyl)carbonate
  • MC-val-cit-PAB-PNP

Work with N-(6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-L-valyl-N5-(aminocarbonyl)-N-(4-((((4-nitrophenoxy)carbonyl)oxy)methyl)phenyl)-L-ornithinamide

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-(6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-L-valyl-N5-(aminocarbonyl)-N-(4-(hydroxymethyl)phenyl)-L-ornithinamide159857-80-470 % similar Fmoc-val-cit-PAB159858-22-744 % similar Fmoc-val-cit-pab-pnp863971-53-342 % similar Nα-Benzoyl-L-arginine-p-nitroanilide hydrochloride21653-40-740 % similar N-Alpha-Benzoyl-DL-arginine-p-nitroanilide hydrochloride911-77-340 % similar Benzyl 4-nitrophenyl carbonate13795-24-934 % similar (S)-4-Nitrophenyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoate1738-87-032 % similar N-[(Phenylmethoxy)carbonyl]-L-tyrosine 4-nitrophenyl ester3556-56-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook