ethyl 2-[2-(2-{2-[(tert-butoxycarbonyl)amino]acetamido}-3-phenylpropanamido)-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoate

ethyl 2-[2-(2-{2-[(tert-butoxycarbonyl)amino]acetamido}-3-phenylpropanamido)-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoate

Formula: C36H44N4O8

SMILES: CCOC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C

IUPAC: ethyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)-3-phenylpropanamido]-3-phenylpropanamido}-3-(4-hydroxyphenyl)propanoate

InChI: InChI=1/C36H44N4O8/c1-5-47-34(45)30(22-26-16-18-27(41)19-17-26)40-33(44)29(21-25-14-10-7-11-15-25)39-32(43)28(20-24-12-8-6-9-13-24)38-31(42)23-37-35(46)48-36(2,3)4/h6-19,28-30,41H,5,20-23H2,1-4H3,(H,37,46)(H,38,42)(H,39,43)(H,40,44)

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 660.768

Atom Count: 92

Heavy Atom Count: 48

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	3
Exact Mass	660.315914393
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
InChIKey	JMQNNNWOMOJVBU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	178.12
Topological Polar Surface Area	172.16
Polarizability	69.59
Ring Count	3
Rotatable Bond Count	18

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C36H44N4O8		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00