2-{benzyl[(tert-butoxycarbonyl)amino]amino}-3-(1H-indol-3-yl)propanoic acid

2-{benzyl[(tert-butoxycarbonyl)amino]amino}-3-(1H-indol-3-yl)propanoic acid

Formula: C23H27N3O4

SMILES: CC(C)(C)OC(=O)NN(CC1=CC=CC=C1)C(CC1=CNC2=CC=CC=C12)C(O)=O

IUPAC: 2-[benzyl({[(tert-butoxy)carbonyl]amino})amino]-3-(1H-indol-3-yl)propanoic acid

InChI: InChI=1/C23H27N3O4/c1-23(2,3)30-22(29)25-26(15-16-9-5-4-6-10-16)20(21(27)28)13-17-14-24-19-12-8-7-11-18(17)19/h4-12,14,20,24H,13,15H2,1-3H3,(H,25,29)(H,27,28)

Composition: C (67.46%), H (6.65%), N (10.26%), O (15.63%)

Molar Mass: 409.486

Atom Count: 57

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	409.200156361
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	DBKGHZWVUDFAFJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.89
Topological Polar Surface Area	94.66
Polarizability	45.53
Ring Count	3
Rotatable Bond Count	9

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C23H27N3O4		Quote Only