(2R,3S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methylpentanoic acid

(2R,3S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methylpentanoic acid

CAS: 118904-37-3

Formula: C21H23NO4

SMILES: CC[C@H](C)[C@@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O

IUPAC: (2R,3S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acid

InChI: InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19+/m0/s1

Composition: C (71.37%), H (6.56%), N (3.96%), O (18.11%)

Molar Mass: 353.418

Atom Count: 49

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	353.162708225
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QXVFEIPAZSXRGM-ORAYPTAESA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.17
Topological Polar Surface Area	75.63
Polarizability	39.52
Ring Count	3
Rotatable Bond Count	7

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