chempirical

Fmoc-tyr-tyr-oh

C33H30N2O7CAS 1269665-49-7566.61 g/mol

Open in Covalent MOL file
OONHOHOHNOHOHO
AmideCarbamateCarboxylic acidPhenol

Properties

Molecular formula
C33H30N2O7
Molar mass
566.61 g/mol
Exact mass
566.2053 Da
logP
4.36Crippen estimate
Polar surface area
145.2 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
10
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
1269665-49-7
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)O
InChIKey
MVSIPLGOADSVLU-KYJUHHDHSA-N
InChI
InChI=1S/C33H30N2O7/c36-22-13-9-20(10-14-22)17-29(31(38)34-30(32(39)40)18-21-11-15-23(37)16-12-21)35-33(41)42-19-28-26-7-3-1-5-24(26)25-6-2-4-8-27(25)28/h1-16,28-30,36-37H,17-19H2,(H,34,38)(H,35,41)(H,39,40)/t29-,30-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Fmoc-tyr-tyr-oh

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-D-tyr-oh112883-29-190 % similar Fmoc-bpa-oh117666-96-371 % similar Fmoc-D-4-carbamoylphe1217610-39-371 % similar Fmoc-2-nal-oh112883-43-969 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-967 % similar Fmoc-tyr(3,5-I2)-OH103213-31-666 % similar Fmoc-D-ser-oh116861-26-864 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-[[[(4S)-hexahydro-2,6-dioxo-4-pyrimidinyl]carbonyl]amino]-L-phenylalanine1253282-31-363 % similar

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

Elsewhere

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