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(2S)-4-({bis[(tert-butoxycarbonyl)amino]methylidene}amino)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(2S)-4-({bis[(tert-butoxycarbonyl)amino]methylidene}amino)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 206183-06-4

Formula: C30H38N4O8

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

IUPAC: (2S)-4-{[bis({[(tert-butoxy)carbonyl]amino})methylidene]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1S/C30H38N4O8/c1-29(2,3)41-27(38)33-25(34-28(39)42-30(4,5)6)31-16-15-23(24(35)36)32-26(37)40-17-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,22-23H,15-17H2,1-6H3,(H,32,37)(H,35,36)(H2,31,33,34,38,39)/t23-/m0/s1

Composition: C (61.84%), H (6.57%), N (9.62%), O (21.97%)

Molar Mass: 582.654

Atom Count: 80

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 582.2689642
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey FNEGEHCONNLNCC-QHCPKHFHSA-N
Lipinski's Rule of Five
Molar Refractivity 152.81
Topological Polar Surface Area 164.65
Polarizability 60.67
Ring Count 3
Rotatable Bond Count 12

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Purity LeadTime CAS UnitPrice
98% <10 Days 206183-06-4 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
99% <5 Days 206183-06-4 $168.97-$2,630.45$168.97$277.42$641.85$2,630.45
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