(2S,5R,11R,14S,17S,20S)-2-Benzyl-11-[(1S)-1-hydroxy-2-methylpropyl]-20-isopropyl-5,14-dimethyl-4,7,10,13,16,19,22-heptaoxo-23-phenyl-17-(sulfomethyl)-3,6,9,12,15,18,21-heptaazatricosan-1-oic acid (non -preferred name)

More details:

• Systematic name

  (2S,5R,11R,14S,17S,20S)-2-Benzyl-11-[(1S)-1-hydroxy-2-methylpropyl]-20-isopropyl-5,14-dimethyl-4,7,10,13,16,19,22-heptaoxo-23-phenyl-17-(sulfomethyl)-3,6,9,12,15,18,21-heptaazatricosan-1-oic acid (non -preferred name)

• SMILES

  C[C@H](NC(=O)[C@@H](CS(O)(=O)=O)NC(=O)[C@@H](NC(=O)CC1C=CC=CC=1)C(C)C)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CC1C=CC=CC=1)C(O)=O

• Std. InChi

  InChI=1S/C39H55N7O13S/c1-21(2)31(45-29(47)18-26-15-11-8-12-16-26)38(54)44-28(20-60(57,58)59)36(52)42-24(6)35(51)46-32(33(49)22(3)4)37(53)40-19-30(48)41-23(5)34(50)43-27(39(55)56)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,31-33,49H,17-20H2,1-6H3,(H,40,53)(H,41,48)(H,42,52)(H,43,50)(H,44,54)(H,45,47)(H,46,51)(H,55,56)(H,57,58,59)/t23-,24+,27+,28-,31+,32-,33+/m1/s1

• Std. InChIKey

  LDYZAOFAJYXPFY-LVIJEMCTSA-N

• Cite this record

  CSID:78441876, http://www.chemspider.com/Chemical-Structure.78441876.html (accessed 00:17, Jun 15, 2024)