2-(2,4-dimethoxyphenyl)-3-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoyl)-1,3-thiazolidine-4-carboxylic acid

2-(2,4-dimethoxyphenyl)-3-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoyl)-1,3-thiazolidine-4-carboxylic acid

Formula: C30H30N2O7S

SMILES: COC1=CC(OC)=C(C=C1)C1SCC(N1C(=O)C(C)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O

IUPAC: 2-(2,4-dimethoxyphenyl)-3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

InChI: InChI=1/C30H30N2O7S/c1-17(31-30(36)39-15-24-21-10-6-4-8-19(21)20-9-5-7-11-22(20)24)27(33)32-25(29(34)35)16-40-28(32)23-13-12-18(37-2)14-26(23)38-3/h4-14,17,24-25,28H,15-16H2,1-3H3,(H,31,36)(H,34,35)

Composition: C (64.04%), H (5.37%), N (4.98%), O (19.91%), S (5.70%)

Molar Mass: 562.64

Atom Count: 70

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	3
Exact Mass	562.177372488
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	YZWYFYUMGKONQA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	149.7
Topological Polar Surface Area	114.4
Polarizability	59.55
Ring Count	5
Rotatable Bond Count	9

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C30H30N2O7S		Quote Only