Benzyl n-[(2s)-4-methyl-1-[[(2r)-4-methyl-1-[[(2s)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

C₂₆H₄₁N₃O₅CAS 1211877-36-9475.63 g/mol

Open in Covalent MOL file

Aldehyde Amide Carbamate

Properties

Molecular formula: C₂₆H₄₁N₃O₅
Molar mass: 475.63 g/mol
Exact mass: 475.3046 Da
logP: 3.59Crippen estimate
Polar surface area: 113.6 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 14
Stereocentres: S, R, Sin SMILES atom order

Identifiers

CAS number

1211877-36-9

SMILES

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

InChIKey

TZYWCYJVHRLUCT-ZRBLBEILSA-N

InChI

InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22+,23-/m0/s1

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Names and synonyms

1 names

(R)-Mg132

Work with Benzyl n-[(2s)-4-methyl-1-[[(2r)-4-methyl-1-[[(2s)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

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

Benzyl 3-oxocyclobutylcarbamate130369-36-744 % similar (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-342 % similar Z-D-Gln-oh13139-52-141 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-241 % similar S-3-Cbz-amino pyrrolidine-hcl1217631-74-740 % similar Z-Asn(trt)-oh132388-57-940 % similar N-Boc-3-iodo-L-alanine benzyl ester108957-20-638 % similar Benzyloxycarbonyl-L-leucine2018-66-838 % similar

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

Same formula

Mg132133407-82-6

Elsewhere

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