(2R)-3-(5-chloro-1H-indol-3-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2R)-3-(5-chloro-1H-indol-3-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 1257856-10-2

Formula: C26H21ClN2O4

SMILES: OC(=O)[C@@H](CC1=CNC2=CC=C(Cl)C=C12)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2R)-3-(5-chloro-1H-indol-3-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C26H21ClN2O4/c27-16-9-10-23-21(12-16)15(13-28-23)11-24(25(30)31)29-26(32)33-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,12-13,22,24,28H,11,14H2,(H,29,32)(H,30,31)/t24-/m1/s1

Composition: C (67.75%), H (4.59%), Cl (7.69%), N (6.08%), O (13.88%)

Molar Mass: 460.91

Atom Count: 54

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	460.1189849
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	ZRVDPQCSRZAYPG-XMMPIXPASA-N
Lipinski's Rule of Five
Molar Refractivity	125.09
Topological Polar Surface Area	91.42
Polarizability	50.66
Ring Count	5
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1257856-10-2		$155.52-$344.64$155.52$233.28$344.64