1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-arginylg lycine

More details:

• Systematic name

  1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-arginylg lycine

• SMILES

  c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)CC(=O)N)CCC(=O)N)Cc4ccccc4

• Std. InChi

  InChI=1S/C46H64N14O12S2/c47-27-23-73-74-24-33(45(72)60-18-8-14-34(60)44(71)55-28(13-7-17-52-46(50)51)39(66)53-22-37(63)64)59-43(70)32(21-36(49)62)58-40(67)29(15-16-35(48)61)54-41(68)31(20-26-11-5-2-6-12-26)57-42(69)30(56-38(27)65)19-25-9-3-1-4-10-25/h1-6,9-12,27-34H,7-8,13-24,47H2,(H2,48,61)(H2,49,62)(H,53,66)(H,54,68)(H,55,71)(H,56,65)(H,57,69)(H,58,67)(H,59,70)(H,63,64)(H4,50,51,52)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

• Std. InChIKey

  VJWFQEDNYVYGON-LGYYRGKSSA-N

• Cite this record

  CSID:34242517, http://www.chemspider.com/Chemical-Structure.34242517.html (accessed 16:48, Apr 18, 2024)