Boc-N'-nitro-L-homoarginine

C₁₂H₂₃N₅O₆CAS 28968-64-1333.35 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Guanidine Nitro

Properties

Molecular formula: C₁₂H₂₃N₅O₆
Molar mass: 333.35 g/mol
Exact mass: 333.1648 Da
logP: 0.23Crippen estimate
Polar surface area: 169.2 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 8
Stereocentres: 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

28968-64-1

SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCN=C(N)N[N+](=O)[O-])C(=O)O

InChIKey

YFIPSHDRWHZYOM-QMMMGPOBSA-N

InChI

InChI=1S/C12H23N5O6/c1-12(2,3)23-11(20)15-8(9(18)19)6-4-5-7-14-10(13)16-17(21)22/h8H,4-7H2,1-3H3,(H,15,20)(H,18,19)(H3,13,14,16)/t8-/m0/s1

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Names and synonyms

1 names

Boc-HomoArg(NO2)-OH

Work with Boc-N'-nitro-L-homoarginine

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

Boc-D-lys-oh106719-44-258 % similar Boc-orn-oh21887-64-956 % similar Boc-L-6-hydroxynorleucine77611-37-156 % similar N'-Nitro-D-arginine66036-77-956 % similar (2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-755 % similar Boc-D-arg(tos)-oh61315-61-554 % similar Boc-orn(boc)-oh57133-29-653 % similar Boc-D-glutamine61348-28-553 % similar

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

Elsewhere

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