(1R,2S)-2-({4-[(1S,2R)-2-carboxycyclohexaneamido]phenyl}carbamoyl)cyclohexane-1-carboxylic acid

(1R,2S)-2-({4-[(1S,2R)-2-carboxycyclohexaneamido]phenyl}carbamoyl)cyclohexane-1-carboxylic acid

Formula: C22H28N2O6

SMILES: OC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(NC(=O)[C@H]2CCCC[C@H]2C(O)=O)C=C1

IUPAC: (1R,2S)-2-({4-[(1S,2R)-2-carboxycyclohexaneamido]phenyl}carbamoyl)cyclohexane-1-carboxylic acid

InChI: InChI=1S/C22H28N2O6/c25-19(15-5-1-3-7-17(15)21(27)28)23-13-9-11-14(12-10-13)24-20(26)16-6-2-4-8-18(16)22(29)30/h9-12,15-18H,1-8H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t15-,16-,17+,18+/m0/s1

Composition: C (63.45%), H (6.78%), N (6.73%), O (23.05%)

Molar Mass: 416.474

Atom Count: 58

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	416.19473663
Formal Charge	0
FSP3	0.55
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
InChIKey	IKAOYKBYSTULCQ-WNRNVDISSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.67
Topological Polar Surface Area	132.8
Polarizability	41.84
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H28N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00