AG001ZBL

173963-91-2 | 11-Oxa-5-thia-2,9-diazatridecanoic acid, 3-carboxy-12,12-dimethyl-10-oxo-, 1-(9H-fluoren-9-ylmethyl) ester, (3R)-

AG001ZBL

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CAS Number	173963-91-2
Catalog Number	AG001ZBL(AGN-PC-0QAEYE)
Chemical Name	11-Oxa-5-thia-2,9-diazatridecanoic acid, 3-carboxy-12,12-dimethyl-10-oxo-, 1-(9H-fluoren-9-ylmethyl) ester, (3R)-
IUPAC Name	(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfanyl]propanoic acid
InChI	InChI=1S/C26H32N2O6S/c1-26(2,3)34-24(31)27-13-8-14-35-16-22(23(29)30)28-25(32)33-15-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,21-22H,8,13-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t22-/m0/s1
InChI Key	VODQCWHZYBQNRK-QFIPXVFZSA-N
MDL Number	MFCD01318742
Molecular Formula	C26H32N2O6S
Molecular Weight	500.6071
SMILES	CC(C)(C)OC(NCCCSC[C@@H](C(O)=O)NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)=O
Synonyms	173963-91-2, Fmoc-Cys(3-(Boc-amino)-propyl)-OH, Fmoc-S-Boc-3-aminopropyl-L-cysteine, C26H32N2O6S, SCHEMBL5416534, CTK8F9913, DTXSID00593361, 5612AD, MFCD01318742, ZINC15722206, ACM173963912, AS-49031, TR-007714, FT-0679822, J-010953, N-(9H-Fluoren-9-ylmethoxycarbonyl)-S-[3-[(tert-butoxycarbonyl)amino]propyl]-L-cysteine, S-{3-[(tert-Butoxycarbonyl)amino]propyl}-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-cysteine, (2R)-3-({3-[(tert-butoxycarbonyl)amino]propyl}sulfanyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid, (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((3-((tert-butoxycarbonyl)amino)propyl)thio)propanoic acid, 11-Oxa-5-thia-2,9-diazatridecanoic acid, 3-carboxy-12,12-dimethyl-10-oxo-, 1-(9H-fluoren-9-ylmethyl) ester, (3R)-, 11-Oxa-5-thia-2,9-diazatridecanoicacid,3-carboxy-12,12-dimethyl-10-oxo-,1-(9H-fluoren-9-ylmethyl)ester,(3R)-, VODQCWHZYBQNRK-QFIPXVFZSA-N,

Complexity	705
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	500.198g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	500.61g/mol
Monoisotopic Mass	500.198g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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