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

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

Formula: C24H34ClN5O4S

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

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

InChI: InChI=1/C24H33N5O4S.ClH/c1-14-20(34-13-27-14)16-7-5-15(6-8-16)11-26-22(32)18-9-17(30)12-29(18)23(33)21(24(2,3)4)28-19(31)10-25;/h5-8,13,17-18,21,30H,9-12,25H2,1-4H3,(H,26,32)(H,28,31);1H

Composition: C (55.00%), H (6.54%), Cl (6.76%), N (13.36%), O (12.21%), S (6.12%)

Molar Mass: 524.08

Atom Count: 69

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	523.2020035
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
InChIKey	RDVLBRLCBGVZQV-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	129.05
Topological Polar Surface Area	137.65
Polarizability	51.65
Ring Count	3
Rotatable Bond Count	8

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C24H34ClN5O4S		Quote Only