2-({2-[({2-[(18S,25S,32S,35S)-18-(2-Amino-2-oxoethyl)-32-(4-hydroxybenzyl)-25-[(R)-hydroxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-35-[(2R)-3-oxo-2-butanyl]-3,13,20,27,37-pentathia-7,17,24,31,34 ,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)ami no]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-16,23,30,33-tetraoxo-35-[(2R)-3-oxo-2-butanyl]-3,13,20,27,37-pentathia-7,17,24,31,34 ,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)ami no]acryloyl}amino)acrylic acid

• SMILES

  C[C@H]([C@@H]1NC(=O)[C@H](CC2C=CC(O)=CC=2)NC(=O)C2=CSC(=N2)[C@@H](NC(=O)C2N=C(SC=2C)[C@H](CC(N)=O)NC(=O)C2=CSC(=N2)C2C=CC(=NC=2C2=CSC(=N2)C2=CSC1=N2)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(O)=O)[C@H](O)C1C=CC=CC=1)C(C)=O

• Std. InChi

  InChI=1S/C59H50N14O12S6/c1-24(27(4)74)42-57-70-40(23-90-57)55-66-36(19-87-55)44-32(15-16-33(63-44)54-68-37(21-88-54)49(80)61-25(2)47(78)62-26(3)59(84)85)53-67-38(20-86-53)51(82)65-35(18-41(60)76)56-73-43(28(5)91-56)52(83)72-45(46(77)30-9-7-6-8-10-30)58-69-39(22-89-58)50(81)64-34(48(79)71-42)17-29-11-13-31(75)14-12-29/h6-16,19-24,34-35,42,45-46,75,77H,2-3,17-18H2,1,4-5H3,(H2,60,76)(H,61,80)(H,62,78)(H,64,81)(H,65,82)(H,71,79)(H,72,83)(H,84,85)/t24-,34-,35-,42-,45-,46+/m0/s1

• Std. InChIKey

  DRXXEEZOBQMPQN-KBXWVDHMSA-N

• Cite this record

  CSID:78436726, http://www.chemspider.com/Chemical-Structure.78436726.html (accessed 03:48, Jun 29, 2024)