(2R,4R)-1-[(2S)-5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLIC ACID

CAS No.
74874-10-5
CCD No.
CCD00659316
Formula
C23 H31 N7 O7 S
MolWeight
549.606

Basic Information

Product Name: (2R,4R)-1-[(2S)-5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLIC ACID
CAS: 74874-10-5
English Synonyms: ARGATROBAN INTER-6 ; (2R,4R)-1-[(2S)-5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLIC ACID ; 2-PIPERIDINECARBOXYLIC ACID, 1-[5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]-1-OXOPENTYL]-4-METHYL-,[2R-[1(S*), 2ALPHA, 4BETA]]- ; (2R,4R)-1-[NG-NITRO-N2-(3-METHYL-8-QUINOLINESULFONYL)-L-ARGINYL]-4-METHYL-2-PIPERIDINECARBOXYLIC ACID ; 2-PIPERIDINECARBOXYLIC ACID, 1-[5-[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-,[2R-[1(S*), 2ALPHA, 4BETA]]- ; [2R-[1(S*),2Α,4Β]]-1-[5-[[IMINO(NITROAMINO) METHYL]AMINO]-2-[[(3-METHYL-8- ; 2-PIPERIDINECARBOXYLIC ACID, 1-[(2S)-5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-, (2R,4R)-
MDL Number.: MFCD08458426
H bond acceptor: 14
H bond donor: 5
Smile: Cc1cc2cccc(c2nc1)S(=O)(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N3CC[C@H](C[C@@H]3C(=O)O)C
InChi: InChI=1S/C23H31N7O7S/c1-14-8-10-29(18(12-14)22(32)33)21(31)17(6-4-9-25-23(24)27-30(34)35)28-38(36,37)19-7-3-5-16-11-15(2)13-26-20(16)19/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,32,33)(H3,24,25,27)/t14-,17+,18-/m1/s1
InChiKey: InChIKey=XBDLKMBSCAVLDV-FHLIZLRMSA-N

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