(2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6S)-2-[(1S,2S)-2-[({6-Amino-2-[(1S)-3-amino-1-{[(2R)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methyl-4-pyrimidinyl}carbonyl)amino]-3-{[(2S,3S,4R)-3-hydroxy-5-{[( 2R,3S)-3-hydroxy-1-{[2-(4-{[3-(methylsulfanyl)propyl]carbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]amino}-1-oxo-2-butanyl]amino}-4-methyl-5-oxo-2-pentanyl]amino}-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-di hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)

More details:

• Systematic name

  (2S,3R,4R,5R,6R)-2-{[(2R,3R,4R,5S,6S)-2-[(1S,2S)-2-[({6-Amino-2-[(1S)-3-amino-1-{[(2R)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methyl-4-pyrimidinyl}carbonyl)amino]-3-{[(2S,3S,4R)-3-hydroxy-5-{[( 2R,3S)-3-hydroxy-1-{[2-(4-{[3-(methylsulfanyl)propyl]carbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]amino}-1-oxo-2-butanyl]amino}-4-methyl-5-oxo-2-pentanyl]amino}-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-di hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)

• SMILES

  CC1C(N)=NC(=NC=1C(=O)N[C@@H]([C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](OC(N)=O)[C@H]1O)C1=CN=CN1)C(=O)N[C@@H](C)[C@@H](O)[C@@H](C)C(=O)N[C@H]([C@H](C)O)C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCCSC)[C@H](CC(N)=O)NC[C@@H](N)C(N)=O

• Std. InChi

  InChI=1S/C54H81N17O21S3/c1-19-32(68-45(71-43(19)57)24(11-30(56)75)63-12-23(55)44(58)81)49(85)70-34(40(25-13-60-18-64-25)90-53-42(38(79)36(77)28(14-72)89-53)91-52-39(80)41(92-54(59)87)37(78)29(15-73)88-52)50(86)65-21(3)35(76)20(2)46(82)69-33(22(4)74)48(84)62-9-7-31-66-27(17-94-31)51-67-26(16-95-51)47(83)61-8-6-10-93-5/h13,16-18,20-24,28-29,33-42,52-53,63,72-74,76-80H,6-12,14-15,55H2,1-5H3,(H2,56,75)(H2,58,81)(H2,59,87)(H,60,64)(H,61,83)(H,62,84)(H,65,86)(H,69,82)(H,70,85)(H2,57,68,71)/t20-,21+,22+,23-,24+,28+,29-,33-,34+,35+,36-,37-,38-,39-,40-,41-,42-,52+,53+/m1/s1

• Std. InChIKey

  FWTQNWDTHLXHFI-MNDGTESASA-N

• Cite this record

  CSID:78443309, http://www.chemspider.com/Chemical-Structure.78443309.html (accessed 12:44, Jun 13, 2024)