4-({1-[4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamoyl)butanoic acid

4-({1-[4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamoyl)butanoic acid

Formula: C27H36N4O6S

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

IUPAC: 4-({1-[4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamoyl)butanoic acid

InChI: InChI=1/C27H36N4O6S/c1-16-23(38-15-29-16)18-10-8-17(9-11-18)13-28-25(36)20-12-19(32)14-31(20)26(37)24(27(2,3)4)30-21(33)6-5-7-22(34)35/h8-11,15,19-20,24,32H,5-7,12-14H2,1-4H3,(H,28,36)(H,30,33)(H,34,35)

Composition: C (59.54%), H (6.66%), N (10.29%), O (17.62%), S (5.89%)

Molar Mass: 544.67

Atom Count: 74

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	544.235556069
Formal Charge	0
FSP3	0.52
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
InChIKey	FKGREQKARAJLQH-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	141.19
Topological Polar Surface Area	148.93
Polarizability	56.2
Ring Count	3
Rotatable Bond Count	11

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C27H36N4O6S		Quote Only