(S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid

C₂₉H₃₀N₂O₆CAS 114346-31-5502.57 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₉H₃₀N₂O₆
Molar mass: 502.57 g/mol
Exact mass: 502.2104 Da
logP: 5.57Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

114346-31-5

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChIKey

ZKSJJSOHPQQZHC-VWLOTQADSA-N

InChI

InChI=1S/C29H30N2O6/c1-29(2,3)37-28(35)31-25(26(32)33)16-18-12-14-19(15-13-18)30-27(34)36-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,30,34)(H,31,35)(H,32,33)/t25-/m0/s1

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Names and synonyms

1 names

Boc-phe(4-nhfmoc)-oh

Work with (S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic 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

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-974 % similar Fmoc-4-[2-(boc-amino)ethoxy]-L-phenylalanine1013883-02-772 % similar Boc-asp(ofm)-oh117014-32-170 % similar Boc-dap(fmoc)-oh122235-70-570 % similar Fmoc-D-tyr-oh112883-29-168 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-568 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-367 % similar Boc-glu(ofm)-oh123417-18-567 % similar

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

Same formula

Fmoc-D-lys(Z)-oh110990-07-3

Elsewhere

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