Z-D-Glu(ome)-oh

C₁₄H₁₇NO₆CAS 27025-24-7295.29 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₁₄H₁₇NO₆
Molar mass: 295.29 g/mol
Exact mass: 295.1056 Da
logP: 1.32Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

27025-24-7

SMILES

COC(=O)CC[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1

InChIKey

JSNVOAWDAFVIKY-LLVKDONJSA-N

InChI

InChI=1S/C14H17NO6/c1-20-12(16)8-7-11(13(17)18)15-14(19)21-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,17,18)/t11-/m1/s1

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Names and synonyms

1 names

(R)-2-(((Benzyloxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid

Work with Z-D-Glu(ome)-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

(2S)-2-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid3160-47-280 % similar Z-D-Gln-oh13139-52-171 % similar N-Carbobenzoxy-dl-norleucine15027-13-171 % similar N-Alpha-Benzyloxycarbonyl-L-ornithine2640-58-667 % similar N-Cbz-D-leucine28862-79-563 % similar Z-Dl-asparagine29880-22-660 % similar N-Cbz-D-alanine26607-51-259 % similar Z-Tyr(bzl)-oh16677-29-557 % similar

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

Same formula

1H-Indol-3-yl beta-D-galactopyranoside126787-65-3 Indican487-60-5

Elsewhere

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