ethyl 1-{[4-(carbamoylamino)-1-[(4-{[(4-nitrophenoxycarbonyl)oxy]methyl}phenyl)carbamoyl]butyl]carbamoyl}cyclobutane-1-carboxylate

ethyl 1-{[4-(carbamoylamino)-1-[(4-{[(4-nitrophenoxycarbonyl)oxy]methyl}phenyl)carbamoyl]butyl]carbamoyl}cyclobutane-1-carboxylate

Formula: C28H33N5O10

SMILES: CCOC(=O)C1(CCC1)C(=O)NC(CCCNC(N)=O)C(=O)NC1=CC=C(COC(=O)OC2=CC=C(C=C2)[N+]([O-])=O)C=C1

IUPAC: ethyl 1-{[4-(carbamoylamino)-1-{[4-({[(4-nitrophenoxy)carbonyl]oxy}methyl)phenyl]carbamoyl}butyl]carbamoyl}cyclobutane-1-carboxylate

InChI: InChI=1/C28H33N5O10/c1-2-41-25(36)28(14-4-15-28)24(35)32-22(5-3-16-30-26(29)37)23(34)31-19-8-6-18(7-9-19)17-42-27(38)43-21-12-10-20(11-13-21)33(39)40/h6-13,22H,2-5,14-17H2,1H3,(H,31,34)(H,32,35)(H3,29,30,37)

Composition: C (56.09%), H (5.55%), N (11.68%), O (26.68%)

Molar Mass: 599.597

Atom Count: 76

Heavy Atom Count: 43

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	599.222742283
Formal Charge	0
FSP3	0.39
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
InChIKey	SZLMOVRUPZLCTI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	150.48
Topological Polar Surface Area	218.29
Polarizability	57.69
Ring Count	3
Rotatable Bond Count	17

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C28H33N5O10		Quote Only