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9H-fluoren-9-ylmethyl N-[(2S)-6-{[(benzyloxy)carbonyl]amino}-1-chloro-1-oxohexan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-6-{[(benzyloxy)carbonyl]amino}-1-chloro-1-oxohexan-2-yl]carbamate

CAS: 103321-56-8

Formula: C29H29ClN2O5

SMILES: ClC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

IUPAC: (9H-fluoren-9-yl)methyl N-[(2S)-6-{[(benzyloxy)carbonyl]amino}-1-chloro-1-oxohexan-2-yl]carbamate

InChI: InChI=1S/C29H29ClN2O5/c30-27(33)26(16-8-9-17-31-28(34)36-18-20-10-2-1-3-11-20)32-29(35)37-19-25-23-14-6-4-12-21(23)22-13-5-7-15-24(22)25/h1-7,10-15,25-26H,8-9,16-19H2,(H,31,34)(H,32,35)/t26-/m0/s1

Composition: C (66.85%), H (5.61%), Cl (6.80%), N (5.38%), O (15.35%)

Molar Mass: 521.01

Atom Count: 66

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 520.1764997
Formal Charge 0
FSP3 0.28
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey TYHXUSZTTOPURF-SANMLTNESA-N
Lipinski's Rule of Five
Molar Refractivity 141.43
Topological Polar Surface Area 93.73
Polarizability 56.11
Ring Count 4
Rotatable Bond Count 13

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97% <5 Days 103321-56-8 $1,540.00-$3,190.00$1,540.00$2,200.00$3,190.00
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