N-[amino-guanidino-hydroxy-[(1r)-1-hydroxyethyl]-[2-(4-hydroxyphenyl)ethyl]-hexaoxo-[?]yl]-4-[4-(4-octoxyphenyl)piperazin-1-yl]benzamide

Structural Information

Molecular Formula

C₅₇H₈₁N₁₃O₁₁

SMILES

CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)N[C@H]4CCCNC(=O)[C@@H]5C[C@@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)CCC7=CC=C(C=C7)O)N)N=C(N)N

InChI

InChI=1S/C57H81N13O11/c1-3-4-5-6-7-8-30-81-43-22-18-40(19-23-43)68-28-26-67(27-29-68)39-16-14-37(15-17-39)50(74)63-44-10-9-25-61-53(77)46-31-38(62-57(59)60)33-69(46)56(80)49(58)66-52(76)45(24-13-36-11-20-41(72)21-12-36)64-54(78)47-32-42(73)34-70(47)55(79)48(35(2)71)65-51(44)75/h11-12,14-23,35,38,42,44-49,71-73H,3-10,13,24-34,58H2,1-2H3,(H,61,77)(H,63,74)(H,64,78)(H,65,75)(H,66,76)(H4,59,60,62)/t35-,38+,42-,44+,45+,46+,47+,48+,49-/m1/s1

InChIKey

OAHMQRNEDGTGHJ-UUQMRMJXSA-N

Compound name

N-[(3R,6S,9S,11R,15S,18S,24S,26S)-3-amino-26-(diaminomethylideneamino)-11-hydroxy-15-[(1R)-1-hydroxyethyl]-6-[2-(4-hydroxyphenyl)ethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-octoxyphenyl)piperazin-1-yl]benzamide

Related CIDs

• CID 49766953