(5R)-3-[(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1,4-dioxo-4-[(triphenylmethyl)amino]butyl]-2,2,5-trimethyl-4-oxazolidinecarboxylic acid

C45H43N3O7CAS 957780-59-5737.85 g/mol

Open in Covalent MOL file
ONOONHNHOOOOH
AmideCarboxylic acidEther

Properties

Molecular formula
C45H43N3O7
Molar mass
737.85 g/mol
Exact mass
737.3101 Da
logP
7.87Crippen estimate
Polar surface area
141.3 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
11
Stereocentres
R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
957780-59-5
SMILES
C[C@H]1OC(C)(C)N(C(=O)[C@H](CC(O)=NC(c2ccccc2)(c2ccccc2)c2ccccc2)N=C(O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O
InChIKey
ANJHPIXXMBAZHL-CRSWUFPKSA-N
InChI
InChI=1S/C45H43N3O7/c1-29-40(42(51)52)48(44(2,3)55-29)41(50)38(46-43(53)54-28-37-35-25-15-13-23-33(35)34-24-14-16-26-36(34)37)27-39(49)47-45(30-17-7-4-8-18-30,31-19-9-5-10-20-31)32-21-11-6-12-22-32/h4-26,29,37-38,40H,27-28H2,1-3H3,(H,46,53)(H,47,49)(H,51,52)/t29-,38+,40+/m1/s1

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Names and synonyms

2 names
  • 4-Oxazolidinecarboxylic acid, 3-[(2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1,4-dioxo-4-[(triphenylmethyl)amino]butyl]-2,2,5-trimethyl-, (5R)-
  • Fmoc-asn(trt)-thr(psime,mepro)-OH

Work with (5R)-3-[(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1,4-dioxo-4-[(triphenylmethyl)amino]butyl]-2,2,5-trimethyl-4-oxazolidinecarboxylic acid

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

N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-asparagine132388-59-168 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine132327-80-160 % similar (4S,5R)-3-(Fmoc-ala)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid252554-79-359 % similar Fmoc-ser(tbu)-thr(psime,mepro)-oh1266350-99-555 % similar Fmoc-gly-thr(psi me,me pro)-oh1262308-49-554 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(triphenylmethyl)-L-serine111061-56-451 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine71989-35-051 % similar (3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-6-oxo-6-[(triphenylmethyl)amino]hexanoic acid401915-55-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-Gln(Trt)-Ser(Psi(Me,Me)pro)-OH1821378-64-6

Elsewhere

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