74874-09-2
(2R,4R)-1-[(2S)-5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
Name(2R,4R)-1-[(2S)-5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
(2R,4R)-1-[(2S)-5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD08458425
【English Synonyms】
【Formula】
C25 H35 N7 O7 S
【MolWeight】
577.659
【Inchi】
InChI=1S/C25H35N7O7S/c1-4-39-24(34)20-14-16(2)10-12-31(20)23(33)19(8-6-11-27-25(26)29-32(35)36)30-40(37,38)21-9-5-7-18-13-17(3)15-28-22(18)21/h5,7,9,13,15-16,19-20,30H,4,6,8,10-12,14H2,1-3H3,(H3,26,27,29)/t16-,19+,20-/m1/s1
【InChIKey】
InChIKey=DWOYDKNIEZWRDH-LSTHTHJFSA-N
【SMILES】
CCOC(=O)[C@H]1C[C@@H](CCN1C(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NS(=O)(=O)c2cccc3c2ncc(c3)C)C
【MOL File】
(2R,4R)-1-[(2S)-5-[[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:14
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2R,4R)-1-[(2S)-5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLIC ACID ETHYL ESTER.cml