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

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

CAS: 957780-56-2

Formula: C31H38N2O8

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

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

InChI: InChI=1S/C31H38N2O8/c1-18-26(28(36)37)33(31(5,6)40-18)27(35)24(15-16-25(34)41-30(2,3)4)32-29(38)39-17-23-21-13-9-7-11-19(21)20-12-8-10-14-22(20)23/h7-14,18,23-24,26H,15-17H2,1-6H3,(H,32,38)(H,36,37)/t18-,24+,26+/m1/s1

Composition: C (65.71%), H (6.76%), N (4.94%), O (22.59%)

Molar Mass: 566.651

Atom Count: 79

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 566.262816192
Formal Charge 0
FSP3 0.48
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey SIDKUUFAHNZJLW-VAQLEPBLSA-N
Lipinski's Rule of Five
Molar Refractivity 149.55
Topological Polar Surface Area 131.47
Polarizability 59.9
Ring Count 4
Rotatable Bond Count 11

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 957780-56-2 $177.80-$1,128.60$177.80$616.63$1,128.60
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