AG000U98

130309-37-4 | 1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,3aS,7aS)-

AG000U98

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CAS Number	130309-37-4
Catalog Number	AG000U98(AGN-PC-0PJ752)
Chemical Name	1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,3aS,7aS)-
IUPAC Name	(2S,3aS,7aS)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
InChI	InChI=1S/C24H25NO4/c26-23(27)22-13-15-7-1-6-12-21(15)25(22)24(28)29-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,15,20-22H,1,6-7,12-14H2,(H,26,27)/t15-,21-,22-/m0/s1
InChI Key	JBZXLQHJZHITMW-RXYZOABWSA-N
MDL Number	MFCD00191201
Molecular Formula	C24H25NO4
Molecular Weight	391.4596
SMILES	C(OC(=O)N1[C@@]2([C@](C[C@H]1C(O)=O)(CCCC2)[H])[H])C3C=4C(C=5C3=CC=CC5)=CC=CC4
Synonyms	130309-37-4, Fmoc-Oic-OH, (2S,3aS,7aS)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)octahydro-1H-indole-2-carboxylic acid, Fmoc-(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid, Fmoc-L-Octahydroindole-2-carboxylic acid, (2S,3aS,7aS)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid, MFCD00191201, (2S,3aS,7aS)-1-{[(9H-Fluoren-9-yl)methoxy]carbonyl}octahydro-1H-indole-2-carboxylic acid, AK-57356, AC1MBSY3, CTK8B7908, DTXSID90373275, ZINC4899631, ANW-58916, AKOS015837340, AKOS016002009, ACN-052141, CS-W022729, AJ-52575, DS-15457, SC-95676, AX8131378, RT-004512, TR-062128, FT-0696195, (2S pound not3aS pound not7aS)-1-(((9H-fluoren-9-yl)methoxy)carbonyl, Fmoc-(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid, AldrichCPR, (2S,3aS,7aS)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-octahydroindole-2-carboxylic acid, (2S,3aS,7aS)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-octahydro-1H-indole-2-carboxylic acid, (2S,3aS,7aS)-1-[9H-fluoren-9-ylmethoxy(oxo)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid, Fmoc-Oic-OH - 5G 5g, CID2756165, A7658, 1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic Acid, 1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,3aS,7aS)-,

Complexity	614
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	391.178g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	391.467g/mol
Monoisotopic Mass	391.178g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number