2-[(3S,6S,9S,12S,15S,18S,21S)-21-(3-amino-3-oxo-propyl)-6,15,18-triisobutyl-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-3,12-disec-butyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid

More details:

• Systematic name

  2-[(3S,6S,9S,12S,15S,18S,21S)-21-(3-amino-3-oxo-propyl)-6,15,18-triisobutyl-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-3,12-disec-butyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid

• SMILES

  O=C1OC(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1[C@@H](C)CC)CC(C)C)CC(=O)O)[C@@H](C)CC)CC(C)C)CC(C)C)CCC(=O)N)CCCCCCCCCC(C)C

• Std. InChi

  InChI=1S/C54H96N8O12/c1-13-35(11)46-53(72)60-42(30-45(65)66)50(69)59-41(28-34(9)10)52(71)62-47(36(12)14-2)54(73)74-37(23-21-19-17-15-16-18-20-22-31(3)4)29-44(64)56-38(24-25-43(55)63)48(67)57-39(26-32(5)6)49(68)58-40(27-33(7)8)51(70)61-46/h31-42,46-47H,13-30H2,1-12H3,(H2,55,63)(H,56,64)(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,71)(H,65,66)/t35-,36-,37?,38-,39-,40-,41-,42-,46-,47-/m0/s1

• Std. InChIKey

  ZJHKSGOKZKQBNJ-LYHOWYGUSA-N

• Cite this record

  CSID:8709522, http://www.chemspider.com/Chemical-Structure.8709522.html (accessed 00:19, Jul 2, 2024)