2-({2-[({2-[(18S,25S,32S,35S)-18-(2-Amino-2-oxoethyl)-32-(4-hydroxybenzyl)-25-[(R)-hydroxy(phenyl)methyl]-21-methyl-35-[(1R)-1-(2-oxiranyl)ethyl]-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,3 1,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1^2,5.1^12,15.1^19,22.1^26,29.0^6,11]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}carbonyl )amino]acryloyl}amino)acrylic acid

More details:

• Systematic name

  2-({2-[({2-[(18S,25S,32S,35S)-18-(2-Amino-2-oxoethyl)-32-(4-hydroxybenzyl)-25-[(R)-hydroxy(phenyl)methyl]-21-methyl-35-[(1R)-1-(2-oxiranyl)ethyl]-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,3 1,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1~2,5~.1~12,15~.1~19,22~.1~26,29~.0~6,11~]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}carbonyl )amino]acryloyl}amino)acrylic acid

• SMILES

  CC1SC2=NC=1C(=O)N[C@@H]([C@H](O)C1C=CC=CC=1)C1=NC(=CS1)C(=O)N[C@@H](CC1C=CC(O)=CC=1)C(=O)N[C@@H]([C@@H](C)C1CO1)C1=NC(=CS1)C1=NC(=CS1)C1N=C(C=CC=1C1=NC(=CS1)C(=O)N[C@H]2CC(N)=O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(O)=O

• Std. InChi

  InChI=1S/C59H50N14O12S6/c1-24(40-18-85-40)42-57-70-39(23-90-57)55-66-35(19-87-55)44-31(14-15-32(63-44)54-68-36(21-88-54)49(79)61-25(2)47(77)62-26(3)59(83)84)53-67-37(20-86-53)51(81)65-34(17-41(60)75)56-73-43(27(4)91-56)52(82)72-45(46(76)29-8-6-5-7-9-29)58-69-38(22-89-58)50(80)64-33(48(78)71-42)16-28-10-12-30(74)13-11-28/h5-15,19-24,33-34,40,42,45-46,74,76H,2-3,16-18H2,1,4H3,(H2,60,75)(H,61,79)(H,62,77)(H,64,80)(H,65,81)(H,71,78)(H,72,82)(H,83,84)/t24-,33-,34-,40?,42-,45-,46+/m0/s1

• Std. InChIKey

  ZNNAUCGMAFZTIY-JVLMLHMMSA-N

• Cite this record

  CSID:78436298, http://www.chemspider.com/Chemical-Structure.78436298.html (accessed 05:53, Jul 3, 2024)