L-Arginyl-L-seryl-N-[(4S,7S,13S,16S,19S,22S,25S,34S,37S)-34-benzyl-13,22-di[(2S)-2-butanyl]-16,25-bis(3-carbamimidamidopropyl)-4-carboxy-19-(carboxymethyl)-7-methyl-6,9,12,15,18,21,24,27,30,33,36-unde caoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-37-yl]-L-serinamide

More details:

• Systematic name

  L-Arginyl-L-seryl-N-[(4S,7S,13S,16S,19S,22S,25S,34S,37S)-34-benzyl-13,22-di[(2S)-2-butanyl]-16,25-bis(3-carbamimidamidopropyl)-4-carboxy-19-(carboxymethyl)-7-methyl-6,9,12,15,18,21,24,27,30,33,36-unde caoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-37-yl]-L-serinamide

• SMILES

  CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CC(=O)O)[C@@H](C)CC)CCCN=C(N)N)Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)N)C(=O)O)C

• Std. InChi

  InChI=1S/C64H106N24O20S2/c1-6-31(3)48-59(105)77-26-45(92)78-33(5)50(96)86-43(61(107)108)30-110-109-29-42(85-57(103)41(28-90)84-56(102)40(27-89)83-51(97)35(65)16-11-19-72-62(66)67)58(104)81-38(22-34-14-9-8-10-15-34)52(98)76-24-44(91)75-25-46(93)79-36(17-12-20-73-63(68)69)53(99)88-49(32(4)7-2)60(106)82-39(23-47(94)95)55(101)80-37(54(100)87-48)18-13-21-74-64(70)71/h8-10,14-15,31-33,35-43,48-49,89-90H,6-7,11-13,16-30,65H2,1-5H3,(H,75,91)(H,76,98)(H,77,105)(H,78,92)(H,79,93)(H,80,101)(H,81,104)(H,82,106)(H,83,97)(H,84,102)(H,85,103)(H,86,96)(H,87,100)(H,88,99)(H,94,95)(H,107,108)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t31-,32-,33-,35-,36-,37-,38-,39-,40-,41-,42+,43+,48-,49-/m0/s1

• Std. InChIKey

  AMTRDAGYBPKFPS-GRCLCJPMSA-N

• Cite this record

  CSID:23152304, http://www.chemspider.com/Chemical-Structure.23152304.html (accessed 23:09, Apr 24, 2024)