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(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methylphenyl)diphenylmethyl]sulfanyl}propanoic acid

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methylphenyl)diphenylmethyl]sulfanyl}propanoic acid

CAS: 269067-38-1

Formula: C38H33NO4S

SMILES: CC1=CC=C(C=C1)C(SC[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(4-methylphenyl)diphenylmethyl]sulfanyl}propanoic acid

InChI: InChI=1S/C38H33NO4S/c1-26-20-22-29(23-21-26)38(27-12-4-2-5-13-27,28-14-6-3-7-15-28)44-25-35(36(40)41)39-37(42)43-24-34-32-18-10-8-16-30(32)31-17-9-11-19-33(31)34/h2-23,34-35H,24-25H2,1H3,(H,39,42)(H,40,41)/t35-/m0/s1

Composition: C (76.10%), H (5.55%), N (2.34%), O (10.67%), S (5.35%)

Molar Mass: 599.75

Atom Count: 77

Heavy Atom Count: 44

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 1
Exact Mass 599.213029721
Formal Charge 0
FSP3 0.16
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PCCZXLMDPCBTSL-DHUJRADRSA-N
Lipinski's Rule of Five
Molar Refractivity 177.19
Topological Polar Surface Area 75.63
Polarizability 69.51
Ring Count 6
Rotatable Bond Count 11

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 269067-38-1 $29.00-$368.21$29.00$368.21
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