a-[[Fmoc]amino]-1-[alloc]-(aS)-4-piperidinepropanoic Acid - CAS 313052-03-8

Catalog:	BB064758
Product Name:	a-[[Fmoc]amino]-1-[alloc]-(aS)-4-piperidinepropanoic Acid
CAS:	313052-03-8
Synonyms:	a-[[Fmoc]amino]-1-[alloc]-(aS)-4-piperidinepropanoic Acid; (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1-((allyloxy)carbonyl)piperidin-4-yl)propanoic acid; (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-prop-2-enoxycarbonylpiperidin-4-yl)propanoic acid; (alphaS)-alpha-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-[(2-propen-1-yloxy)carbonyl]-4-piperidinepropanoic acid

Technical Data

IUPAC Name:	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-prop-2-enoxycarbonylpiperidin-4-yl)propanoic acid
Molecular Weight:	478.54
Molecular Formula:	C27H30N2O6
Canonical SMILES:	C=CCOC(=O)N1CCC(CC1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI:	InChI=1S/C27H30N2O6/c1-2-15-34-27(33)29-13-11-18(12-14-29)16-24(25(30)31)28-26(32)35-17-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h2-10,18,23-24H,1,11-17H2,(H,28,32)(H,30,31)/t24-/m0/s1
InChI Key:	RURLLCHNGWWRCW-DEOSSOPVSA-N

Complexity:	743
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	478.21038668
Formal Charge:	0
Heavy Atom Count:	35
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	478.21038668
Rotatable Bond Count:	10
Topological Polar Surface Area:	105Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3