(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoic acid

More details:

• Systematic name

  (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoic acid

• SMILES

  O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CS)Cc2c1ccccc1nc2)CO)CO)C(C)C)Cc3ccc(O)cc3)CO)Cc4cncn4)CCC/N=C(\N)N)[C@@H](N)CS

• Std. InChi

  InChI=1S/C52H74N16O15S2/c1-25(2)41(50(81)66-39(21-71)49(80)65-38(20-70)48(79)62-35(44(75)67-40(23-85)51(82)83)15-27-17-58-32-7-4-3-6-30(27)32)68-46(77)34(14-26-9-11-29(72)12-10-26)61-47(78)37(19-69)64-45(76)36(16-28-18-56-24-59-28)63-43(74)33(8-5-13-57-52(54)55)60-42(73)31(53)22-84/h3-4,6-7,9-12,17-18,24-25,31,33-41,58,69-72,84-85H,5,8,13-16,19-23,53H2,1-2H3,(H,56,59)(H,60,73)(H,61,78)(H,62,79)(H,63,74)(H,64,76)(H,65,80)(H,66,81)(H,67,75)(H,68,77)(H,82,83)(H4,54,55,57)/t31-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1

• Std. InChIKey

  JKMVIERUUHAXBV-GJGKTWNJSA-N

• Cite this record

  CSID:8389534, http://www.chemspider.com/Chemical-Structure.8389534.html (accessed 10:29, Apr 23, 2024)