(2S,5S,8S,14S,17S,20S)-2,14-Dibenzyl-5-{3-[(diaminomethylene)amino]propyl}-17-(hydroxymethyl)-20-{[3-(1H-indol-3-yl)propanoyl]amino}-8-isobutyl-6-methyl-4,7,10,13,16,19-hexaoxo-3,6,9,11,12,15,18-hepta azadocosane-1,22-diamide

More details:

• Systematic name

  (2S,5S,8S,14S,17S,20S)-2,14-Dibenzyl-5-{3-[(diaminomethylene)amino]propyl}-17-(hydroxymethyl)-20-{[3-(1H-indol-3-yl)propanoyl]amino}-8-isobutyl-6-methyl-4,7,10,13,16,19-hexaoxo-3,6,9,11,12,15,18-hepta azadocosane-1,22-diamide

• SMILES

  O=C(N)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc2c1ccccc1nc2)CC(=O)N)CO)Cc3ccccc3)CC(C)C)C)CCC/N=C(\N)N)Cc4ccccc4

• Std. InChi

  InChI=1S/C50H68N14O10/c1-29(2)23-38(48(73)64(3)40(19-12-22-55-49(53)54)47(72)58-35(43(52)68)24-30-13-6-4-7-14-30)61-50(74)63-62-46(71)36(25-31-15-8-5-9-16-31)59-45(70)39(28-65)60-44(69)37(26-41(51)66)57-42(67)21-20-32-27-56-34-18-11-10-17-33(32)34/h4-11,13-18,27,29,35-40,56,65H,12,19-26,28H2,1-3H3,(H2,51,66)(H2,52,68)(H,57,67)(H,58,72)(H,59,70)(H,60,69)(H,62,71)(H4,53,54,55)(H2,61,63,74)/t35-,36-,37-,38-,39-,40-/m0/s1

• Std. InChIKey

  ZFOXFVDHWUNHGQ-UNHORJANSA-N

• Cite this record

  CSID:8593986, http://www.chemspider.com/Chemical-Structure.8593986.html (accessed 10:47, Apr 26, 2024)