204326-24-9
(2S,5S)-FMOC-5-AMINO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO [3,2,1-HI] INDOLE-4-ONE-2-CARBOXYLIC ACID
Name(2S,5S)-FMOC-5-AMINO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO [3,2,1-HI] INDOLE-4-ONE-2-CARBOXYLIC ACID
1Identification
【Name】
(2S,5S)-FMOC-5-AMINO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO [3,2,1-HI] INDOLE-4-ONE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00673792
【中文同义词】
【EnglishSynonyms】
AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID,1,2,4,5,6,7-HEXAHYDRO-5-[[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO]-4-OXO-,(2S,9S)-
AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID,1,2,4,5,6,7-HEXAHYDRO-5-[[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO]-4-OXO-,(2S,5S)-
【pro_formula】
C28 H24 N2 O5
【pro_molWeight】
468.507
【Inchi】
InChI=1S/C28H24N2O5/c31-26-23(13-12-16-6-5-7-17-14-24(27(32)33)30(26)25(16)17)29-28(34)35-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-11,22-24H,12-15H2,(H,29,34)(H,32,33)/t23-,24-/m0/s1
【InChIKey】
InChIKey=NHNOPJNRVODSCV-ZEQRLZLVSA-N
【SMILES】
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H]4CCc5cccc6c5N(C4=O)[C@@H](C6)C(=O)O
【MOL File】
(2S,5S)-FMOC-5-AMINO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(2S,5S)-FMOC-5-AMINO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO [3,2,1-HI] INDOLE-4-ONE-2-CARBOXYLIC ACID.cml