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(4S,5R)-3-[(2S)-3-[4-(tert-butoxy)phenyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

(4S,5R)-3-[(2S)-3-[4-(tert-butoxy)phenyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

CAS: 920519-31-9

Formula: C35H40N2O7

SMILES: C[C@H]1OC(C)(C)N([C@@H]1C(O)=O)C(=O)[C@H](CC1=CC=C(OC(C)(C)C)C=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (4S,5R)-3-[(2S)-3-[4-(tert-butoxy)phenyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid

InChI: InChI=1S/C35H40N2O7/c1-21-30(32(39)40)37(35(5,6)43-21)31(38)29(19-22-15-17-23(18-16-22)44-34(2,3)4)36-33(41)42-20-28-26-13-9-7-11-24(26)25-12-8-10-14-27(25)28/h7-18,21,28-30H,19-20H2,1-6H3,(H,36,41)(H,39,40)/t21-,29+,30+/m1/s1

Composition: C (69.98%), H (6.71%), N (4.66%), O (18.64%)

Molar Mass: 600.712

Atom Count: 84

Heavy Atom Count: 44

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 3
Exact Mass 600.283551636
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey JYSMURJYNLWZNY-RIGQTMPJSA-N
Lipinski's Rule of Five
Molar Refractivity 165.08
Topological Polar Surface Area 114.4
Polarizability 65.69
Ring Count 5
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 920519-31-9 $225.72$225.72
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