N-({(1S)-2-{[(2S)-1-{[3-({(1S,2S)-2-[(5-Amino-2,5-dideoxy-β-D-erythro-pentofuranosyl)oxy]-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]et hyl}amino)propyl]amino}-4-methyl-1-oxo-2-pentanyl]amino}-1-[(4S)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-2-oxoethyl}carbamoyl)-L-valine

More details:

• Systematic name

  N-({(1S)-2-{[(2S)-1-{[3-({(1S,2S)-2-[(5-Amino-2,5-dideoxy-beta-D-erythro-pentofuranosyl)oxy]-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]et hyl}amino)propyl]amino}-4-methyl-1-oxo-2-pentanyl]amino}-1-[(4S)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-2-oxoethyl}carbamoyl)-L-valine

• SMILES

  CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@H]1C[C@H](O)[C@@H](CN)O1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)C(O)=O

• Std. InChi

  InChI=1S/C37H61N11O15/c1-15(2)12-18(43-31(54)24(17-6-10-42-35(39)44-17)47-36(59)46-23(16(3)4)33(55)56)30(53)41-9-5-8-40-25(34(57)58)28(62-22-13-19(49)20(14-38)61-22)29-26(51)27(52)32(63-29)48-11-7-21(50)45-37(48)60/h7,11,15-20,22-29,32,40,49,51-52H,5-6,8-10,12-14,38H2,1-4H3,(H,41,53)(H,43,54)(H,55,56)(H,57,58)(H3,39,42,44)(H,45,50,60)(H2,46,47,59)/t17-,18-,19-,20+,22-,23-,24-,25-,26-,27+,28-,29-,32+/m0/s1

• Std. InChIKey

  IVLFLKUPTOOXBS-HEGRHRSOSA-N

• Cite this record

  CSID:78442643, http://www.chemspider.com/Chemical-Structure.78442643.html (accessed 11:32, May 8, 2024)