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(3R,4S)-1-[(benzyloxy)carbonyl]-4-[(tert-butoxycarbonyl)amino]pyrrolidine-3-carboxylic acid

(3R,4S)-1-[(benzyloxy)carbonyl]-4-[(tert-butoxycarbonyl)amino]pyrrolidine-3-carboxylic acid

CAS: 1217636-05-9

Formula: C18H24N2O6

SMILES: CC(C)(C)OC(=O)N[C@@H]1CN(C[C@H]1C(O)=O)C(=O)OCC1=CC=CC=C1

IUPAC: (3R,4S)-1-[(benzyloxy)carbonyl]-4-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid

InChI: InChI=1S/C18H24N2O6/c1-18(2,3)26-16(23)19-14-10-20(9-13(14)15(21)22)17(24)25-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,23)(H,21,22)/t13-,14+/m0/s1

Composition: C (59.33%), H (6.64%), N (7.69%), O (26.34%)

Molar Mass: 364.398

Atom Count: 50

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 364.163436501
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZPDUEFCWDPJFBV-ZIAGYGMSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.86
Topological Polar Surface Area 105.17
Polarizability 36.11
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1217636-05-9 $829.04-$3,208.50$829.04$1,581.48$3,208.50
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1217636-05-9 $648.60-$2,564.50$648.60$1,254.65$2,564.50
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