6-[[(2s)-5-hydroxy-2-[[2-[[hydroxy(phenyl)methyl]-isopropyl-(methoxymethyl)-methyl-[2-(methylamino)-2-oxo-ethyl]-tetraoxo-[?]yl]thiazole-4-carbonyl]amino]-5-oxo-pentanoyl]amino]hexanoic acid

Structural Information

Molecular Formula

C₅₉H₆₂N₁₄O₁₃S₆

SMILES

CC1=C2C(=O)NC(C3=NC(=C(S3)COC)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCCCCC(=O)O)C8=NC(=CS8)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C9=CC=CC=C9)O)C(C)C

InChI

InChI=1S/C59H62N14O13S6/c1-27(2)43-59-73-46(38(92-59)22-86-5)52(84)62-21-40(75)70-47(48(80)29-12-8-6-9-13-29)58-69-37(26-90-58)56-66-34(23-88-56)45-30(54-67-35(24-87-54)51(83)65-33(20-39(74)60-4)57-72-44(28(3)91-57)53(85)71-43)15-16-32(63-45)55-68-36(25-89-55)50(82)64-31(17-18-42(78)79)49(81)61-19-11-7-10-14-41(76)77/h6,8-9,12-13,15-16,23-27,31,33,43,47-48,80H,7,10-11,14,17-22H2,1-5H3,(H,60,74)(H,61,81)(H,62,84)(H,64,82)(H,65,83)(H,70,75)(H,71,85)(H,76,77)(H,78,79)/t31-,33?,43?,47?,48?/m0/s1

InChIKey

HVROWWPHSOTUFQ-SVIKYMADSA-N

Compound name

6-[[(2S)-4-carboxy-2-[[2-[35-[hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]hexanoic acid

Related CIDs

• CID 16130600