(2r,3s,4r,5s,6s)-6-[(2s,3s,4r,5r)-2-[1-[[1-[[1-[[1-[[1-[[(z)-1-[[(2s)-5-amino-1-[[2-[[1-[[(1r)-4-amino-1-carboxy-4-oxobutyl]amino]-1-oxo-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-13-chloro-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Structural Information

Molecular Formula

C₇₅H₁₂₀ClN₁₁O₃₆

SMILES

CCCC(CCCCCCCCCC(C(C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(C(C1=CC=C(C=C1)O)O)C(=O)N/C(=C\C)/C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N(C)C(C(C)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)C(=O)N[C@H](CCC(=O)N)C(=O)O)O)O[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(=O)O)O)O)O)O)Cl

InChI

InChI=1S/C75H120ClN11O36/c1-8-17-36(76)18-15-13-11-10-12-14-16-19-42(120-73-60(105)61(41(93)30-118-73)122-75-59(104)56(101)57(102)62(123-75)72(116)117)54(99)70(113)85-49(33(5)91)66(109)83-47(31(3)89)65(108)84-48(32(4)90)67(110)86-50(52(97)35-20-22-37(92)23-21-35)68(111)80-38(9-2)64(107)81-39(24-26-44(77)94)63(106)79-28-46(96)87(7)51(69(112)82-40(71(114)115)25-27-45(78)95)34(6)119-74-58(103)55(100)53(98)43(29-88)121-74/h9,20-23,31-34,36,39-43,47-62,73-75,88-93,97-105H,8,10-19,24-30H2,1-7H3,(H2,77,94)(H2,78,95)(H,79,106)(H,80,111)(H,81,107)(H,82,112)(H,83,109)(H,84,108)(H,85,113)(H,86,110)(H,114,115)(H,116,117)/b38-9-/t31?,32?,33?,34?,36?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1

InChIKey

MZBSSWIGTROORG-IDUONOJXSA-N

Compound name

(2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[1-[[1-[[1-[[(Z)-1-[[(2S)-5-amino-1-[[2-[[1-[[(1R)-4-amino-1-carboxy-4-oxobutyl]amino]-1-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-13-chloro-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Related CIDs

• CID 155802211