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(2S,4S)-1-benzoyl-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pyrrolidine-2-carboxylic acid

(2S,4S)-1-benzoyl-4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pyrrolidine-2-carboxylic acid

CAS: 204321-85-7

Formula: C27H24N2O5

SMILES: OC(=O)[C@@H]1C[C@@H](CN1C(=O)C1=CC=CC=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S,4S)-1-benzoyl-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C27H24N2O5/c30-25(17-8-2-1-3-9-17)29-15-18(14-24(29)26(31)32)28-27(33)34-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23-24H,14-16H2,(H,28,33)(H,31,32)/t18-,24-/m0/s1

Composition: C (71.04%), H (5.30%), N (6.14%), O (17.52%)

Molar Mass: 456.498

Atom Count: 58

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 456.168521881
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YTWZZGPYBGALGM-UUOWRZLLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.36
Topological Polar Surface Area 95.94
Polarizability 49.37
Ring Count 5
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 204321-85-7 $192.51-$2,480.90$192.51$291.87$627.21$2,480.90
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 204321-85-7 $87.40-$1,745.70$87.40$159.85$402.50$1,745.70
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