AG00BCWP

270062-99-2 | Fmoc-(3S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid

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CAS Number	270062-99-2
Catalog Number	AG00BCWP(AGN-PC-0R2WJ0)
Chemical Name	Fmoc-(3S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid
IUPAC Name	2-[(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid
InChI	InChI=1S/C26H23NO4/c28-25(29)14-19-13-17-7-1-2-8-18(17)15-27(19)26(30)31-16-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-12,19,24H,13-16H2,(H,28,29)/t19-/m0/s1
InChI Key	ZYNHEOMLCMDTDW-IBGZPJMESA-N
MDL Number	MFCD01861032
Molecular Formula	C26H23NO4
Molecular Weight	413.4651
SMILES	O=C(O)C[C@H]1N(C(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)CC5=C(C=CC=C5)C1
Synonyms	270062-99-2, Fmoc-(S)-2-tetrahydroisoquinoline acetic acid, (S)-2-(2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid, 2-[(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]acetic Acid, Fmoc-Tqa-OH, AC1MC5CY, SCHEMBL800135, CTK8F0650, DTXSID40375845, ZINC2385836, MFCD01861032, AKOS015948780, CF-1239, HL380-1, AC-22268, ACM270062992, AJ-35204, PS-12038, SC-52774, AX8041532, RT-012817, CS-0060607, A-7935, FMOC-(S)-2-Tetrahydrodiisoquinolineacetic acid, J-016648, Fmoc-(3S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid, FMOC-(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-ACETIC ACID, (3S)-2-(9H-Fluorene-9-ylmethoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3alpha-acetic acid, (3S)-2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,4-dihydro-3(1H)-isoquinolineacetic acid, [(3S)-2-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid, 2-[(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid, [(3S)-2-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinolin-3-yl]acetic acid, 2-[(3S)-2-[9H-fluoren-9-ylmethoxy(oxo)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid, CID2761616, Fmoc-(R)-2-tetrahydroisoquinoline acetic acid, FMOC-(S)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-ACETICACID, 3(1H)-Isoquinolineacetic acid, 2-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-dihydro-, (3S)-,

Complexity	644
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	413.163g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	413.473g/mol
Monoisotopic Mass	413.163g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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