(3s)-4-amino-3-[[(2r)-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]-4-oxo-butanoic acid

Structural Information

Molecular Formula

C₅₆H₅₅N₁₅O₁₄S₆

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)N[C@@H](CC(=O)O)C(=O)N)C8=NC(=CS8)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C9=CC=CC=C9)O)C(C)C

InChI

InChI=1S/C56H55N15O14S6/c1-22(2)39-56-71-42(34(91-56)17-85-5)49(83)59-16-36(73)68-43(44(78)24-9-7-6-8-10-24)55-67-33(21-89-55)53-64-30(18-87-53)41-25(51-65-31(19-86-51)48(82)63-29(13-35(72)58-4)54-70-40(23(3)90-54)50(84)69-39)11-12-26(60-41)52-66-32(20-88-52)47(81)62-28(15-38(76)77)46(80)61-27(45(57)79)14-37(74)75/h6-12,18-22,27-29,39,43-44,78H,13-17H2,1-5H3,(H2,57,79)(H,58,72)(H,59,83)(H,61,80)(H,62,81)(H,63,82)(H,68,73)(H,69,84)(H,74,75)(H,76,77)/t27-,28+,29?,39?,43?,44?/m0/s1

InChIKey

AYOBNVRAYLNWRY-KDVDPYLZSA-N

Compound name

(3S)-4-amino-3-[[(2R)-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]-4-oxobutanoic acid

Related CIDs

• CID 16130598