Gwzslkirhvkjtp-javcyfnssa-n

Structural Information

Molecular Formula

C₇₁H₈₁N₁₉O₁₈S₅

SMILES

C/C=C/1\C2=NC(CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC4C(OC(=O)C5=NC6=C(C=CC(C6O)NC(C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(C(=O)NC7(CC(C8=CSC4=N8)N=C(C7)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C2=NC(=CS2)C(=O)NC(C(=O)N1)C(C)O)C)C(C)C)C(=C5)C(C)O)C)C(C)(C(C)O)O

InChI

InChI=1S/C71H81N19O18S5/c1-14-37-64-83-45(22-109-64)61(103)89-52(70(13,107)34(12)93)67-85-44(23-112-67)59(101)88-49-33(11)108-68(106)39-17-36(31(9)91)35-15-16-38(51(94)50(35)80-39)79-47(25(2)3)62(104)77-29(7)56(98)74-27(5)55(97)75-30(8)57(99)90-71(69-86-46(24-113-69)60(102)87-48(32(10)92)63(105)81-37)18-40(42-20-111-66(49)82-42)78-41(19-71)65-84-43(21-110-65)58(100)76-28(6)54(96)73-26(4)53(72)95/h14-17,20-21,23-25,30-34,38,40,45,47-49,51-52,79,91-94,107H,4-7,18-19,22H2,1-3,8-13H3,(H2,72,95)(H,73,96)(H,74,98)(H,75,97)(H,76,100)(H,77,104)(H,81,105)(H,87,102)(H,88,101)(H,89,103)(H,90,99)/b37-14+

InChIKey

GWZSLKIRHVKJTP-JAVCYFNSSA-N

Compound name

N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(11E)-18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-26,46-dimethyl-40,43-dimethylidene-6,9,16,23,28,38,41,44,47-nonaoxo-37-propan-2-yl-27-oxa-3,13,20,55-tetrathia-7,10,17,24,36,39,42,45,48,51,57,61,62,63,64-pentadecazanonacyclo[23.23.8.329,35.11,52.12,5.112,15.119,22.153,56.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,50,53,56-dodecaen-50-yl]-1,3-thiazole-4-carboxamide

Related CIDs

• CID 16130279