(2r,3r,4s)-3-acetamido-2-[(1r,2r)-1-[2-[[(4s)-4-amino-5-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-5-amino-1-[[(2s)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]ethoxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2h-pyran-6-carboxylic acid

Structural Information

Molecular Formula

C₆₉H₁₁₃N₂₇O₂₉

SMILES

CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)OCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N)N)C(=O)O)NC(=N)N

InChI

InChI=1S/C69H113N27O29/c1-28(98)85-54-40(96-69(82)83)26-42(68(122)123)125-56(54)55(41(99)27-97)124-25-24-84-53(110)23-2-29(70)58(112)87-31(4-14-44(72)101)60(114)89-33(6-16-46(74)103)62(116)91-35(8-18-48(76)105)64(118)93-37(10-20-50(78)107)66(120)95-39(12-22-52(80)109)67(121)94-38(11-21-51(79)108)65(119)92-36(9-19-49(77)106)63(117)90-34(7-17-47(75)104)61(115)88-32(5-15-45(73)102)59(113)86-30(57(81)111)3-13-43(71)100/h26,29-41,54-56,97,99H,2-25,27,70H2,1H3,(H2,71,100)(H2,72,101)(H2,73,102)(H2,74,103)(H2,75,104)(H2,76,105)(H2,77,106)(H2,78,107)(H2,79,108)(H2,80,109)(H2,81,111)(H,84,110)(H,85,98)(H,86,113)(H,87,112)(H,88,115)(H,89,114)(H,90,117)(H,91,116)(H,92,119)(H,93,118)(H,94,121)(H,95,120)(H,122,123)(H4,82,83,96)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,54+,55+,56+/m0/s1

InChIKey

VBBPARNSPZXXLZ-USSPFNLFSA-N

Compound name

(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[2-[[(4S)-4-amino-5-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]ethoxy]-2,3-dihydroxypropyl]-4-carbamimidamido-3,4-dihydro-2H-pyran-6-carboxylic acid

Related CIDs

• CID 16131534