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(2R)-2-[(2R)-2-[(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanamido]propanamido]-3-(triphenylmethylcarbamoyl)propanoic acid

(2R)-2-[(2R)-2-[(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanamido]propanamido]-3-(triphenylmethylcarbamoyl)propanoic acid

CAS: 1951424-92-2

Formula: C44H42N4O7

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

IUPAC: (2R)-2-[(2R)-2-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]propanamido]-3-[(triphenylmethyl)carbamoyl]propanoic acid

InChI: InChI=1S/C44H42N4O7/c1-28(45-40(50)29(2)46-43(54)55-27-37-35-24-14-12-22-33(35)34-23-13-15-25-36(34)37)41(51)47-38(42(52)53)26-39(49)48-44(30-16-6-3-7-17-30,31-18-8-4-9-19-31)32-20-10-5-11-21-32/h3-25,28-29,37-38H,26-27H2,1-2H3,(H,45,50)(H,46,54)(H,47,51)

Composition: C (71.53%), H (5.73%), N (7.58%), O (15.16%)

Molar Mass: 738.841

Atom Count: 97

Heavy Atom Count: 55

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 3
Exact Mass 738.305349708
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 5
InChIKey PMEYZYXHXRXGHF-CZVCVAAJSA-N
Lipinski's Rule of Five
Molar Refractivity 206.98
Topological Polar Surface Area 162.93
Polarizability 81.13
Ring Count 6
Rotatable Bond Count 15

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1951424-92-2 $283.50-$1,417.50$283.50$566.06$945.00$1,417.50
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