Tert-butyl n-[[[(7r)-7-[[(2r)-2-aminopropanoyl]amino]-6-oxo-octyl]carbamoyl-chloro-(2-chloro-4-methyl-phenoxy)-pentahydroxy-trioxo-[?]yl]carbamoyl-dihydroxy-methyl-dioxo-[?]yl]carbamate

Structural Information

Molecular Formula

C₇₅H₇₈Cl₂N₁₀O₂₁

SMILES

C[C@@H]1C(=O)N[C@@H](C2=CC(=CC(=C2)OC3=C(C=CC(=C3)[C@H](C(=O)N1)NC(=O)OC(C)(C)C)O)O)C(=O)N[C@@H]4C5=CC(=C(C(=C5)OC6=C(C=C(C=C6)C)Cl)O)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=C(C(=CC(=C9)O)O)C1=C(C=CC(=C1)[C@H](C(=O)N8)NC4=O)O)C(=O)NCCCCCC(=O)[C@@H](C)NC(=O)[C@@H](C)N)O)Cl

InChI

InChI=1S/C75H78Cl2N10O21/c1-32-12-18-52(46(76)21-32)106-55-27-40-28-56(65(55)95)107-53-19-15-38(25-47(53)77)64(94)63-73(103)85-62(68(98)79-20-10-8-9-11-48(90)34(3)80-66(96)33(2)78)45-30-42(89)31-51(93)57(45)44-24-36(13-16-49(44)91)58(70(100)86-63)83-72(102)61(40)84-71(101)60-39-22-41(88)29-43(23-39)105-54-26-37(14-17-50(54)92)59(87-74(104)108-75(5,6)7)69(99)81-35(4)67(97)82-60/h12-19,21-31,33-35,58-64,88-89,91-95H,8-11,20,78H2,1-7H3,(H,79,98)(H,80,96)(H,81,99)(H,82,97)(H,83,102)(H,84,101)(H,85,103)(H,86,100)(H,87,104)/t33-,34-,35-,58-,59-,60+,61-,62+,63+,64-/m1/s1

InChIKey

GLOJFTVBKQBCBW-MZGHIWTISA-N

Compound name

tert-butyl N-[(8S,11R,14R)-8-[[(1R,13S,16S,17R,28R)-13-[[(7R)-7-[[(2R)-2-aminopropanoyl]amino]-6-oxooctyl]carbamoyl]-20-chloro-25-(2-chloro-4-methylphenoxy)-5,8,10,17,24-pentahydroxy-15,29,31-trioxo-22-oxa-14,30,32-triazahexacyclo[14.14.2.218,21.12,6.123,27.07,12]hexatriaconta-2(36),3,5,7(12),8,10,18,20,23,25,27(33),34-dodecaen-28-yl]carbamoyl]-5,18-dihydroxy-11-methyl-10,13-dioxo-2-oxa-9,12-diazatricyclo[13.3.1.13,7]icosa-1(18),3(20),4,6,15(19),16-hexaen-14-yl]carbamate

Related CIDs

• CID 16133737