(4R)-5-[[(1S)-1-[4-[(2S,5R,8S,11R,14S,17R,20S)-20-(2-amino-2-oxo-ethyl)-5-(3-aminopropyl)-11-benzyl-17-(carboxymethyl)-14-(3H-imidazol-4-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-8-sec-butyl-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]butylcarbamoyl]-2-methyl-propyl]amino]-4-[[(2S)-4-methyl-2-[[2-(2-methylpropanoyl)thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxo-pentanoic acid

More details:

• Systematic name

  (4R)-5-[[(1S)-1-[4-[(2S,5R,8S,11R,14S,17R,20S)-20-(2-amino-2-oxo-ethyl)-5-(3-aminopropyl)-11-benzyl-17-(carboxymethyl)-14-(3H-imidazol-4-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-8-sec-butyl-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]butylcarbamoyl]-2-methyl-propyl]amino]-4-[[(2S)-4-methyl-2-[[2-(2-methylpropanoyl)thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxo-pentanoic acid

• SMILES

  O=C1N[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]1CCCCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)c2nc(sc2)C(=O)C(C)C)CC(C)C)CCC(=O)O)C(C)C)CC(=O)N)CC(=O)O)Cc3cncn3)Cc4ccccc4)[C@@H](C)CC)CCCN

• Std. InChi

  InChI=1S/C64H94N16O17S/c1-9-35(8)51-63(97)77-42(25-36-16-11-10-12-17-36)57(91)74-43(26-37-29-67-31-69-37)58(92)76-45(28-49(84)85)60(94)75-44(27-47(66)81)59(93)71-38(53(87)70-39(19-15-22-65)54(88)80-51)18-13-14-23-68-62(96)50(33(4)5)79-55(89)40(20-21-48(82)83)72-56(90)41(24-32(2)3)73-61(95)46-30-98-64(78-46)52(86)34(6)7/h10-12,16-17,29-35,38-45,50-51H,9,13-15,18-28,65H2,1-8H3,(H2,66,81)(H,67,69)(H,68,96)(H,70,87)(H,71,93)(H,72,90)(H,73,95)(H,74,91)(H,75,94)(H,76,92)(H,77,97)(H,79,89)(H,80,88)(H,82,83)(H,84,85)/t35-,38-,39+,40+,41-,42+,43-,44-,45+,50-,51-/m0/s1

• Std. InChIKey

  BZPYWBHMQSFNFA-VQKFMQNUSA-N

• Cite this record

  CSID:8639597, http://www.chemspider.com/Chemical-Structure.8639597.html (accessed 13:12, Jun 17, 2024)