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(2S)-3-{3'-chloro-[1,1'-biphenyl]-4-yl}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2S)-3-{3'-chloro-[1,1'-biphenyl]-4-yl}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 1380437-47-7

Formula: C30H24ClNO4

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

IUPAC: (2S)-3-{3'-chloro-[1,1'-biphenyl]-4-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C30H24ClNO4/c31-22-7-5-6-21(17-22)20-14-12-19(13-15-20)16-28(29(33)34)32-30(35)36-18-27-25-10-3-1-8-23(25)24-9-2-4-11-26(24)27/h1-15,17,27-28H,16,18H2,(H,32,35)(H,33,34)/t28-/m0/s1

Composition: C (72.36%), H (4.86%), Cl (7.12%), N (2.81%), O (12.85%)

Molar Mass: 497.98

Atom Count: 60

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 497.139386
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RPGFDSRYCOWLSM-NDEPHWFRSA-N
Lipinski's Rule of Five
Molar Refractivity 139.14
Topological Polar Surface Area 75.63
Polarizability 56.42
Ring Count 5
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1380437-47-7 $92.05-$156.36$92.05$156.36
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