7-({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}amino)heptanoic acid

7-({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}amino)heptanoic acid

Formula: C29H42N4O5S

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

IUPAC: 7-({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}amino)heptanoic acid

InChI: InChI=1/C29H42N4O5S/c1-19-25(39-18-32-19)21-12-10-20(11-13-21)16-31-27(37)23-15-22(34)17-33(23)28(38)26(29(2,3)4)30-14-8-6-5-7-9-24(35)36/h10-13,18,22-23,26,30,34H,5-9,14-17H2,1-4H3,(H,31,37)(H,35,36)

Composition: C (62.34%), H (7.58%), N (10.03%), O (14.32%), S (5.74%)

Molar Mass: 558.74

Atom Count: 81

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	558.287591642
Formal Charge	0
FSP3	0.59
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
InChIKey	SCVBFBWIXTXYQE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	150.36
Topological Polar Surface Area	131.86
Polarizability	60.16
Ring Count	3
Rotatable Bond Count	14

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C29H42N4O5S		Quote Only