(3S,6S,14S,17S,20R,24S,25aR)-14-[(N-Acetyl-L-norleucyl)amino]-20-benzyl-24-carbamimidamido-17-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-1,4,12,15,18,21-hexaoxotetracosahydro-1H-pyrrolo[2,1-f][1 ,4,7,10,13,18]hexaazacyclotricosine-6-carboxamide

More details:

• Systematic name

  (3S,6S,14S,17S,20R,24S,25aR)-14-[(N-Acetyl-L-norleucyl)amino]-20-benzyl-24-carbamimidamido-17-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-1,4,12,15,18,21-hexaoxotetracosahydro-1H-pyrrolo[2,1-f][1 ,4,7,10,13,18]hexaazacyclotricosine-6-carboxamide

• SMILES

  CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]2C[C@@H](CN2C(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc3cnc[nH]3)Cc4ccccc4)NC(=N)N)Cc5c[nH]c6c5cccc6)C(=O)N)NC(=O)C

• Std. InChi

  InChI=1S/C50H67N15O9/c1-3-4-15-36(58-28(2)66)44(69)62-39-23-42(67)55-18-11-10-17-35(43(51)68)60-45(70)37(20-30-24-56-34-16-9-8-14-33(30)34)63-48(73)41-22-32(59-50(52)53)26-65(41)49(74)40(19-29-12-6-5-7-13-29)64-46(71)38(61-47(39)72)21-31-25-54-27-57-31/h5-9,12-14,16,24-25,27,32,35-41,56H,3-4,10-11,15,17-23,26H2,1-2H3,(H2,51,68)(H,54,57)(H,55,67)(H,58,66)(H,60,70)(H,61,72)(H,62,69)(H,63,73)(H,64,71)(H4,52,53,59)/t32-,35-,36-,37-,38-,39-,40+,41+/m0/s1

• Std. InChIKey

  OOCZYZNDKCLOHE-RWHXLNGPSA-N

• Cite this record

  CSID:24687002, http://www.chemspider.com/Chemical-Structure.24687002.html (accessed 23:35, Apr 25, 2024)