chempirical

Fmoc-D-arg-oh

C21H24N4O4CAS 130752-32-8396.45 g/mol

Open in Covalent MOL file
OONHNNH2NH2OHO
CarbamateCarboxylic acidGuanidine

Properties

Molecular formula
C21H24N4O4
Molar mass
396.45 g/mol
Exact mass
396.1798 Da
logP
2.03Crippen estimate
Polar surface area
140.0 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
130752-32-8
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CCCN=C(N)N)C(=O)O
InChIKey
DVBUCBXGDWWXNY-GOSISDBHSA-N
InChI
InChI=1S/C21H24N4O4/c22-20(23)24-11-5-10-18(19(26)27)25-21(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,25,28)(H,26,27)(H4,22,23,24)/t18-/m1/s1

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Work with Fmoc-D-arg-oh

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

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

Elsewhere

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