(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

CAS: 178924-05-5

Formula: C22H22N2O6

SMILES: OC(=O)[C@@H](CNC(=O)OCC=C)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

InChI: InChI=1S/C22H22N2O6/c1-2-11-29-21(27)23-12-19(20(25)26)24-22(28)30-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m1/s1

Composition: C (64.38%), H (5.40%), N (6.83%), O (23.39%)

Molar Mass: 410.426

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	410.147786436
Formal Charge	0
FSP3	0.23
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	MPVGCCAXXFLGIU-LJQANCHMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.01
Topological Polar Surface Area	113.96
Polarizability	43.04
Ring Count	3
Rotatable Bond Count	10

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