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(2S)-3-[5-(benzyloxy)-1H-indol-3-yl]-2-[(tert-butoxycarbonyl)amino]propanoic acid

(2S)-3-[5-(benzyloxy)-1H-indol-3-yl]-2-[(tert-butoxycarbonyl)amino]propanoic acid

CAS: 1462877-41-3

Formula: C23H26N2O5

SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=C(OCC3=CC=CC=C3)C=C12)C(O)=O

IUPAC: (2S)-3-[5-(benzyloxy)-1H-indol-3-yl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

InChI: InChI=1S/C23H26N2O5/c1-23(2,3)30-22(28)25-20(21(26)27)11-16-13-24-19-10-9-17(12-18(16)19)29-14-15-7-5-4-6-8-15/h4-10,12-13,20,24H,11,14H2,1-3H3,(H,25,28)(H,26,27)/t20-/m0/s1

Composition: C (67.30%), H (6.38%), N (6.82%), O (19.49%)

Molar Mass: 410.47

Atom Count: 56

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 410.184171945
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey HPOOZLUZMYIOFF-FQEVSTJZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.15
Topological Polar Surface Area 100.65
Polarizability 44.78
Ring Count 3
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1462877-41-3 $158.40-$352.32$158.40$238.08$352.32
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