(2S,5S,8S,14S,17S,20S)-20-[({(2S,4R)-1-[(2R)-2-Acetamido-3-(4-hydroxyphenyl)propanoyl]-4-hydroxy-2-pyrrolidinyl}carbonyl)amino]-14-benzyl-17-[(1R)-1-hydroxyethyl]-2-(1H-indol-3-ylmethyl)-8-isobutyl-5- [3-(N'-methylcarbamimidamido)propyl]-4,7,10,13,16,19-hexaoxo-3,6,9,11,12,15,18-heptaazadocosane-1,22-diamide (non-preferred name)

More details:

• Systematic name

  (2S,5S,8S,14S,17S,20S)-20-[({(2S,4R)-1-[(2R)-2-Acetamido-3-(4-hydroxyphenyl)propanoyl]-4-hydroxy-2-pyrrolidinyl}carbonyl)amino]-14-benzyl-17-[(1R)-1-hydroxyethyl]-2-(1H-indol-3-ylmethyl)-8-isobutyl-5- [3-(N'-methylcarbamimidamido)propyl]-4,7,10,13,16,19-hexaoxo-3,6,9,11,12,15,18-heptaazadocosane-1,22-diamide (non-preferred name)

• SMILES

  C[C@H]([C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](Cc5ccc(cc5)O)NC(=O)C)O)O

• Std. InChi

  InChI=1S/C58H80N16O14/c1-30(2)22-42(51(82)66-40(16-11-21-63-57(61)62-5)50(81)67-41(49(60)80)25-35-28-64-39-15-10-9-14-38(35)39)70-58(88)73-72-53(84)43(23-33-12-7-6-8-13-33)69-55(86)48(31(3)75)71-52(83)44(27-47(59)79)68-54(85)46-26-37(78)29-74(46)56(87)45(65-32(4)76)24-34-17-19-36(77)20-18-34/h6-10,12-15,17-20,28,30-31,37,40-46,48,64,75,77-78H,11,16,21-27,29H2,1-5H3,(H2,59,79)(H2,60,80)(H,65,76)(H,66,82)(H,67,81)(H,68,85)(H,69,86)(H,71,83)(H,72,84)(H3,61,62,63)(H2,70,73,88)/t31-,37-,40+,41+,42+,43+,44+,45-,46+,48+/m1/s1

• Std. InChIKey

  MWXWMWSUUYXMRA-GRKBUMBKSA-N

• Cite this record

  CSID:52083917, http://www.chemspider.com/Chemical-Structure.52083917.html (accessed 01:08, Apr 26, 2024)