N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-[[[(4S)-hexahydro-2,6-dioxo-4-pyrimidinyl]carbonyl]amino]-L-phenylalanine

C₂₉H₂₆N₄O₇CAS 1253282-31-3542.55 g/mol

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Amide Carbamate Carboxylic acid Lactam Urea

Properties

Molecular formula: C₂₉H₂₆N₄O₇
Molar mass: 542.55 g/mol
Exact mass: 542.1801 Da
logP: 2.76Crippen estimate
Polar surface area: 162.9 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 8
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

1253282-31-3

SMILES

C1[C@H](NC(=O)NC1=O)C(=O)NC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChIKey

TYZSMQUWFLKJFB-ZEQRLZLVSA-N

InChI

InChI=1S/C29H26N4O7/c34-25-14-23(31-28(38)33-25)26(35)30-17-11-9-16(10-12-17)13-24(27(36)37)32-29(39)40-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-24H,13-15H2,(H,30,35)(H,32,39)(H,36,37)(H2,31,33,34,38)/t23-,24-/m0/s1

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Names and synonyms

1 names

L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-[[[(4S)-hexahydro-2,6-dioxo-4-pyrimidinyl]carbonyl]amino]-

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-[[[(4S)-hexahydro-2,6-dioxo-4-pyrimidinyl]carbonyl]amino]-L-phenylalanine

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

Fmoc-tyr-tyr-oh1269665-49-763 % similar Fmoc-D-tyr-oh112883-29-163 % similar (S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid114346-31-562 % similar Fmoc-bpa-oh117666-96-362 % similar Fmoc-D-4-carbamoylphe1217610-39-359 % similar Fmoc-2-nal-oh112883-43-958 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-957 % similar Fmoc-L-aspartic acid119062-05-454 % similar

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

Elsewhere

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