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

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

CAS: 920519-32-0

Formula: C30H36N2O8

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

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

InChI: InChI=1S/C30H36N2O8/c1-17-25(27(35)36)32(30(5,6)39-17)26(34)23(15-24(33)40-29(2,3)4)31-28(37)38-16-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,17,22-23,25H,15-16H2,1-6H3,(H,31,37)(H,35,36)/t17-,23+,25+/m1/s1

Composition: C (65.20%), H (6.57%), N (5.07%), O (23.16%)

Molar Mass: 552.624

Atom Count: 76

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 552.247166127
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey NKQJRYSIZOXCTJ-LAMXGVLKSA-N
Lipinski's Rule of Five
Molar Refractivity 144.8
Topological Polar Surface Area 131.47
Polarizability 58.06
Ring Count 4
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 920519-32-0 $153.84-$564.93$153.84$564.93
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