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benzyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-(3,4-dihydroxyphenyl)propanoate

benzyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-(3,4-dihydroxyphenyl)propanoate

CAS: 37169-42-9

Formula: C24H23NO6

SMILES: OC1=C(O)C=C(C[C@H](NC(=O)OCC2=CC=CC=C2)C(=O)OCC2=CC=CC=C2)C=C1

IUPAC: benzyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-(3,4-dihydroxyphenyl)propanoate

InChI: InChI=1S/C24H23NO6/c26-21-12-11-19(14-22(21)27)13-20(23(28)30-15-17-7-3-1-4-8-17)25-24(29)31-16-18-9-5-2-6-10-18/h1-12,14,20,26-27H,13,15-16H2,(H,25,29)/t20-/m0/s1

Composition: C (68.40%), H (5.50%), N (3.32%), O (22.78%)

Molar Mass: 421.449

Atom Count: 54

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 421.152537465
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey YUJLEWTYSMAYOV-FQEVSTJZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.14
Topological Polar Surface Area 105.09
Polarizability 44.44
Ring Count 3
Rotatable Bond Count 10

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95% 1 Day 37169-42-9 $353.81-$3,714.98$353.81$619.16$1,238.33$3,714.98
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