(S)-tert-Butyl 2-amino-6-(((benzyloxy)carbonyl)amino)hexanoate hydrochloride

C₁₈H₂₉ClN₂O₄CAS 5978-22-3372.89 g/mol

Open in Covalent MOL file

Carbamate Ester Primary amine

Properties

Molecular formula: C₁₈H₂₉ClN₂O₄
Molar mass: 372.89 g/mol
Exact mass: 372.1816 Da
logP: 3.17Crippen estimate
Polar surface area: 90.6 Å²
H-bond donors / acceptors: 2 / 5
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

5978-22-3

SMILES

CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)N.Cl

InChIKey

HEMZMPXAQORYDR-RSAXXLAASA-N

InChI

InChI=1S/C18H28N2O4.ClH/c1-18(2,3)24-16(21)15(19)11-7-8-12-20-17(22)23-13-14-9-5-4-6-10-14;/h4-6,9-10,15H,7-8,11-13,19H2,1-3H3,(H,20,22);1H/t15-;/m0./s1

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Names and synonyms

1 names

H-Lys(Z)-otbu hcl

Work with (S)-tert-Butyl 2-amino-6-(((benzyloxy)carbonyl)amino)hexanoate hydrochloride

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-Epsilon-t-Butyloxycarbonyl-L-lysine t-butyl ester hydrochloride13288-57-870 % similar H-Glu(obzl)-otbu hcl105590-97-466 % similar H-D-Lys(Z)-oh34404-32-562 % similar (S)-Phenylalanine tert-butyl ester hydrochloride15100-75-158 % similar tert-Butyl (2R)-2-amino-3-phenylpropanoate hydrochloride3403-25-658 % similar Benzyl N-(3-aminopropyl)carbamate hydrochloride17400-34-955 % similar N6-Carbobenzoxy-L-lysine N-carboxyanhydride1676-86-455 % similar Z-Ndelta-Boc-L-ornithine7733-29-153 % similar

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

Same formula

Acebutolol hydrochloride34381-68-5

Elsewhere

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