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

Structural Information

Molecular Formula

C₅₈H₆₀N₁₄O₁₃S₆

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](CC(=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/C58H60N14O13S6/c1-26(2)42-58-72-45(37(91-58)21-85-5)51(83)61-20-39(74)69-46(47(79)28-12-8-6-9-13-28)57-68-36(25-89-57)55-65-33(22-87-55)44-29(53-66-34(23-86-53)50(82)64-32(18-38(73)59-4)56-71-43(27(3)90-56)52(84)70-42)15-16-30(62-44)54-67-35(24-88-54)49(81)63-31(19-41(77)78)48(80)60-17-11-7-10-14-40(75)76/h6,8-9,12-13,15-16,22-26,31-32,42,46-47,79H,7,10-11,14,17-21H2,1-5H3,(H,59,73)(H,60,80)(H,61,83)(H,63,81)(H,64,82)(H,69,74)(H,70,84)(H,75,76)(H,77,78)/t31-,32?,42?,46?,47?/m0/s1

InChIKey

ZBKUJTQZVZZSSB-NZDKSXHBSA-N

Compound name

6-[[(2S)-3-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]propanoyl]amino]hexanoic acid

Related CIDs

• CID 16130596