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

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

CAS: 168216-05-5

Formula: C27H32N2O6

SMILES: CC(C)[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(=O)N1[C@@H]([C@@H](C)OC1(C)C)C(O)=O

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

InChI: InChI=1S/C27H32N2O6/c1-15(2)22(24(30)29-23(25(31)32)16(3)35-27(29,4)5)28-26(33)34-14-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,15-16,21-23H,14H2,1-5H3,(H,28,33)(H,31,32)/t16-,22+,23+/m1/s1

Composition: C (67.48%), H (6.71%), N (5.83%), O (19.98%)

Molar Mass: 480.561

Atom Count: 67

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 480.226036758
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey OPMOLWFENHTLNA-XARZLDAJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 129.19
Topological Polar Surface Area 105.17
Polarizability 51.75
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 168216-05-5 $71.88-$450.18$71.88$146.28$450.18
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