N-[(2S,6S,9S,11S,15S,19S)-19-[({[(2S,6S,9S,11S,15S,19S)-15-Formamido-2,11-dimethyl-4,5,8,14,18,21-hexaoxo-6-propyl-24-oxa-3,7,13,17,20,25-hexaazatricyclo[20.2.1.0^9,13]pentacosa-1(25),22-dien-19-yl]m ethyl}disulfanyl)methyl]-6-isobutyl-2,11-dimethyl-4,5,8,14,18,21-hexaoxo-24-oxa-3,7,13,17,20,25-hexaazatricyclo[20.2.1.0^9,13]pentacosa-1(25),22-dien-15-yl]formamide

More details:

• Systematic name

  N-[(2S,6S,9S,11S,15S,19S)-19-[({[(2S,6S,9S,11S,15S,19S)-15-Formamido-2,11-dimethyl-4,5,8,14,18,21-hexaoxo-6-propyl-24-oxa-3,7,13,17,20,25-hexaazatricyclo[20.2.1.0~9,13~]pentacosa-1(25),22-dien-19-yl]m ethyl}disulfanyl)methyl]-6-isobutyl-2,11-dimethyl-4,5,8,14,18,21-hexaoxo-24-oxa-3,7,13,17,20,25-hexaazatricyclo[20.2.1.0~9,13~]pentacosa-1(25),22-dien-15-yl]formamide

• SMILES

  CCC[C@H]1C(=O)C(=O)N[C@H](c2nc(co2)C(=O)N[C@@H](C(=O)NC[C@@H](C(=O)N3C[C@H](C[C@H]3C(=O)N1)C)NC=O)CSSC[C@@H]4C(=O)NC[C@@H](C(=O)N5C[C@H](C[C@H]5C(=O)N[C@H](C(=O)C(=O)N[C@H](c6nc(co6)C(=O)N4)C)CC(C)C)C)NC=O)C

• Std. InChi

  InChI=1S/C51H70N14O16S2/c1-8-9-28-38(68)46(76)56-26(6)48-62-32(17-80-48)42(72)60-34(40(70)52-13-30(54-21-66)50(78)64-15-24(4)11-36(64)44(74)58-28)19-82-83-20-35-41(71)53-14-31(55-22-67)51(79)65-16-25(5)12-37(65)45(75)59-29(10-23(2)3)39(69)47(77)57-27(7)49-63-33(18-81-49)43(73)61-35/h17-18,21-31,34-37H,8-16,19-20H2,1-7H3,(H,52,70)(H,53,71)(H,54,66)(H,55,67)(H,56,76)(H,57,77)(H,58,74)(H,59,75)(H,60,72)(H,61,73)/t24-,25-,26-,27-,28-,29-,30-,31-,34+,35+,36-,37-/m0/s1

• Std. InChIKey

  CRDABCUUSIFCLH-YLSDDDODSA-N

• Cite this record

  CSID:35517020, http://www.chemspider.com/Chemical-Structure.35517020.html (accessed 17:59, Jun 1, 2024)