N-[2-[[5-amino-1-[[(Z)-1-[[2-[[(17Z)-11-(2-amino-2-oxo-ethyl)-8-benzyl-23-[(4-hydroxyphenyl)methyl]-6,9,12,20,22,25-hexaoxo-3,16-dithia-7,10,13,19,21,24-hexazabicyclo[12.6.5]pentacos-17-en-5-yl]amino]-2-oxo-ethyl]carbamoyl]prop-1-enyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]-3-[[12-(4-aminobutyl)-15-[2-[(2-amino-3-methyl-pentanoyl)amino]propanoylamino]-9-benzyl-6-isobutyl-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyclohexadecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadecane-7-carboxamide

More details:

• Systematic name

  N-[2-[[5-amino-1-[[(Z)-1-[[2-[[(17Z)-11-(2-amino-2-oxo-ethyl)-8-benzyl-23-[(4-hydroxyphenyl)methyl]-6,9,12,20,22,25-hexaoxo-3,16-dithia-7,10,13,19,21,24-hexazabicyclo[12.6.5]pentacos-17-en-5-yl]amino]-2-oxo-ethyl]carbamoyl]prop-1-enyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]-3-[[12-(4-aminobutyl)-15-[2-[(2-amino-3-methyl-pentanoyl)amino]propanoylamino]-9-benzyl-6-isobutyl-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyclohexadecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadecane-7-carboxamide

• SMILES

  CCC(C)C(C(=O)NC(C)C(=O)NC1CSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCCCN)Cc2ccccc2)CC(C)C)C(=O)NC3C(SCC(NC(=O)CNC(=O)C4CCCN4C3=O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)N/C(=C\C)/C(=O)NCC(=O)NC5CSCC6C(=O)N/C=C\SCC(C(=O)NC(C(=O)N6)Cc7ccc(cc7)O)NC(=O)C(NC(=O)C(NC5=O)Cc8ccccc8)CC(=O)N)C)N

• Std. InChi

  InChI=1S/C98H141N25O23S4/c1-9-52(5)78(102)97(145)107-54(7)81(129)118-71-48-149-49-72(121-86(134)63(38-51(3)4)113-87(135)64(39-56-22-13-11-14-23-56)114-85(133)62(112-93(71)141)27-18-20-34-100)95(143)122-79-55(8)150-50-73(109-77(127)44-105-96(144)74-28-21-36-123(74)98(79)146)91(139)106-53(6)80(128)111-61(26-17-19-33-99)84(132)110-60(10-2)82(130)104-43-76(126)108-69-47-148-46-68-83(131)103-35-37-147-45-70(94(142)116-66(89(137)119-68)41-58-29-31-59(124)32-30-58)120-90(138)67(42-75(101)125)117-88(136)65(115-92(69)140)40-57-24-15-12-16-25-57/h10-16,22-25,29-32,35,37,51-55,61-74,78-79,124H,9,17-21,26-28,33-34,36,38-50,99-100,102H2,1-8H3,(H2,101,125)(H,103,131)(H,104,130)(H,105,144)(H,106,139)(H,107,145)(H,108,126)(H,109,127)(H,110,132)(H,111,128)(H,112,141)(H,113,135)(H,114,133)(H,115,140)(H,116,142)(H,117,136)(H,118,129)(H,119,137)(H,120,138)(H,121,134)(H,122,143)/b37-35-,60-10-

• Std. InChIKey

  AHMZTHYNOXWCBS-JVRNKKCXSA-N

• Cite this record

  CSID:17286550, http://www.chemspider.com/Chemical-Structure.17286550.html (accessed 15:41, Jun 29, 2024)