1-{2-[2-(2-aminoethoxy)acetamido]-3,3-dimethylbutanoyl}-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

1-{2-[2-(2-aminoethoxy)acetamido]-3,3-dimethylbutanoyl}-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

Formula: C26H37N5O5S

SMILES: CC1=C(SC=N1)C1=CC=C(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)COCCN)C(C)(C)C)C=C1

IUPAC: 1-{2-[2-(2-aminoethoxy)acetamido]-3,3-dimethylbutanoyl}-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

InChI: InChI=1/C26H37N5O5S/c1-16-22(37-15-29-16)18-7-5-17(6-8-18)12-28-24(34)20-11-19(32)13-31(20)25(35)23(26(2,3)4)30-21(33)14-36-10-9-27/h5-8,15,19-20,23,32H,9-14,27H2,1-4H3,(H,28,34)(H,30,33)

Composition: C (58.74%), H (7.01%), N (13.17%), O (15.05%), S (6.03%)

Molar Mass: 531.67

Atom Count: 74

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	531.251540485
Formal Charge	0
FSP3	0.54
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
InChIKey	PSFPAHIYWIEFHI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	140.09
Topological Polar Surface Area	146.88
Polarizability	56.04
Ring Count	3
Rotatable Bond Count	11

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C26H37N5O5S		Quote Only