(2R)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

(2R)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

CAS: 333973-51-6

Formula: C31H36N2O6

SMILES: CC(NCCCC[C@@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O)=C1C(=O)CC(C)(C)CC1=O

IUPAC: (2R)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid

InChI: InChI=1S/C31H36N2O6/c1-19(28-26(34)16-31(2,3)17-27(28)35)32-15-9-8-14-25(29(36)37)33-30(38)39-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-7,10-13,24-25,32H,8-9,14-18H2,1-3H3,(H,33,38)(H,36,37)/t25-/m1/s1

Composition: C (69.91%), H (6.81%), N (5.26%), O (18.02%)

Molar Mass: 532.637

Atom Count: 75

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	532.257336887
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	ZPSRBXWVBNVFTO-RUZDIDTESA-N
Lipinski's Rule of Five
Molar Refractivity	148.54
Topological Polar Surface Area	121.8
Polarizability	58.25
Ring Count	4
Rotatable Bond Count	11

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