(3R,6S,9R,13S,16R)-1-[(2S)-1-{(2S,5R,8S,11S,14R,17S)-17-Amino-5-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-11-(3-amino-3-oxopropyl)-8-[(2S)-2-butanyl]-2-[(1R)-1-hydroxyethyl]-14-[(1S)-1-hydroxy-2-methylpropy l]-9-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecan-1-oyl}-2-pyrrolidinyl]-9-heptyl-6-[(1R)-1-hydroxyethyl]-16-[(1S)-1-hydroxy-2-methylpropyl]-3-isobutyl-13-isopropyl-1,4,7,11,14-pentaoxo- 2,5,8,12,15-pentaazaheptadecan-17-oic acid (non-preferred name)

More details:

• Systematic name

  (3R,6S,9R,13S,16R)-1-[(2S)-1-{(2S,5R,8S,11S,14R,17S)-17-Amino-5-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-11-(3-amino-3-oxopropyl)-8-[(2S)-2-butanyl]-2-[(1R)-1-hydroxyethyl]-14-[(1S)-1-hydroxy-2-methylpropy l]-9-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecan-1-oyl}-2-pyrrolidinyl]-9-heptyl-6-[(1R)-1-hydroxyethyl]-16-[(1S)-1-hydroxy-2-methylpropyl]-3-isobutyl-13-isopropyl-1,4,7,11,14-pentaoxo- 2,5,8,12,15-pentaazaheptadecan-17-oic acid (non-preferred name)

• SMILES

  CCCCCCC[C@H](CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@H](C(C)C)O)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]([C@H](C(=O)N)O)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]([C@H](C(C)C)O)NC(=O)[C@H](C)N

• Std. InChi

  InChI=1S/C65H116N14O20/c1-16-18-19-20-21-23-38(29-43(83)72-44(31(5)6)58(91)77-49(65(98)99)52(85)33(9)10)69-59(92)45(36(13)80)73-56(89)40(28-30(3)4)71-57(90)41-24-22-27-79(41)64(97)46(37(14)81)74-61(94)48(53(86)54(68)87)76-62(95)50(34(11)17-2)78(15)63(96)39(25-26-42(67)82)70-60(93)47(51(84)32(7)8)75-55(88)35(12)66/h30-41,44-53,80-81,84-86H,16-29,66H2,1-15H3,(H2,67,82)(H2,68,87)(H,69,92)(H,70,93)(H,71,90)(H,72,83)(H,73,89)(H,74,94)(H,75,88)(H,76,95)(H,77,91)(H,98,99)/t34-,35-,36+,37+,38+,39-,40+,41-,44-,45-,46-,47+,48+,49+,50-,51-,52-,53+/m0/s1

• Std. InChIKey

  ARBTXEGGGLHUPG-FYHKVEBYSA-N

• Cite this record

  CSID:44210870, http://www.chemspider.com/Chemical-Structure.44210870.html (accessed 19:42, Jun 15, 2024)