(2r,3s,4r,5r)-n-[(1s)-1-benzyl-2-[[(1s)-1-[[(1s,2r,3r,4s)-1-benzyl-2,3-dihydroxy-4-[[(2s)-3-methyl-2-[[(2s)-2-[[(2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoyl]amino]-3-phenyl-propanoyl]amino]butanoyl]amino]-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]-2,3,4,5,6-pentahydroxy-hexanamide

Structural Information

Molecular Formula

C₅₈H₈₀N₆O₁₈

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

InChI

InChI=1S/C58H80N6O18/c1-31(2)43(63-53(77)39(27-35-21-13-7-14-22-35)61-57(81)51(75)49(73)47(71)41(67)29-65)55(79)59-37(25-33-17-9-5-10-18-33)45(69)46(70)38(26-34-19-11-6-12-20-34)60-56(80)44(32(3)4)64-54(78)40(28-36-23-15-8-16-24-36)62-58(82)52(76)50(74)48(72)42(68)30-66/h5-24,31-32,37-52,65-76H,25-30H2,1-4H3,(H,59,79)(H,60,80)(H,61,81)(H,62,82)(H,63,77)(H,64,78)/t37-,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,49-,50-,51+,52+/m0/s1

InChIKey

JKKGGJZOQWTJPS-FRQMJYCASA-N

Compound name

(2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[(2S)-2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide

Related CIDs

• CID 471941