(2S,4S,5R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5-acetamido-6-[6-[[4-azanyl-5-[[2-[[(2R)-5-[bis(azanyl)methylideneamino]-1-[[2-[[(2R)-1-[[(2R)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoyl]amino]hexoxy]-2-(hydroxymethyl)-4-[(3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(ox

Systemtic Name: (2S,4S,5R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5-acetamido-6-[6-[[4-azanyl-5-[[2-[[(2R)-5-[bis(azanyl)methylideneamino]-1-[[2-[[(2R)-1-[[(2R)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoyl]amino]hexoxy]-2-(hydroxymethyl)-4-[(3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(ox Openeye Name: (2S,4S,5R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5-acetamido-6-[6-[[4-amino-5-[[2-[[(1R)-4-guanidino-1-[[2-[[(1R)-3-hydroxy-1-[[(1R)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-2-oxo-ethyl]carbamoyl]butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoyl]amino]hexoxy]-2-(hydroxymethyl)-4-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]te CAS Name: (2S,4S,5R)-5-acetamido-2-[[(2S,3R,4S,5S,6R)-2-[[(2R,3S,5R,6R)-5-acetamido-6-[6-[[4-amino-5-[[2-[[(2R)-5-(diaminomethylideneamino)-1-[[2-[[(2R)-1-[[(2R)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentyl]amino]hexoxy]-2-(hydroxymethyl)-4-[[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]-2-oxanecarboxy IUPAC Name: (2S,4S,5R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5-acetamido-6-[6-[[4-amino-5-[[2-[[(2R)-5-(diaminomethylideneamino)-1-[[2-[[(2R)-1-[[(2R)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoyl]amino]hexoxy]-2-(hydroxymethyl)-4-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic aci Traditional Name: (2S,4S,5R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5-acetamido-6-[6-[[4-amino-5-[[2-[[(1R)-4-guanidino-1-[[2-[[(1R)-3-hydroxy-1-[[(1R)-2-hydroxy-2-keto-1-methylol-ethyl]carbamoyl]-3-keto-propyl]amino]-2-keto-ethyl]carbamoyl]butyl]amino]-2-keto-ethyl]amino]-5-keto-pentanoyl]amino]hexoxy]-2-methylol-4-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]tetrahydropyran-2 Formula: C59H100N12O34 MolecularWeight: 1521.4853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)OC4(CC(C(C(O4)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)CO)OCCCCCCNC(=O)CCC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)N)NC(=O)C)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H](C(O1)OC2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H](C(O4)[C@H]([C@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)OCCCCCCNC(=O)CCC(C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CO)C(=O)O)N)NC(=O)C)O)O)O

InChI

InChI=1S/C59H100N12O34/c1-23-40(85)43(88)44(89)55(99-23)103-48-39(68-25(3)77)54(101-33(22-75)46(48)102-56-45(90)49(42(87)32(21-74)100-56)105-59(57(96)97)16-30(78)38(67-24(2)76)47(104-59)41(86)31(79)20-73)98-14-7-5-4-6-12-63-34(80)11-10-26(60)50(91)65-17-35(81)69-27(9-8-13-64-58(61)62)51(92)66-18-36(82)70-28(15-37(83)84)52(93)71-29(19-72)53(94)95/h23,26-33,38-49,54-56,72-75,78-79,85-90H,4-22,60H2,1-3H3,(H,63,80)(H,65,91)(H,66,92)(H,67,76)(H,68,77)(H,69,81)(H,70,82)(H,71,93)(H,83,84)(H,94,95)(H,96,97)(H4,61,62,64)/t23-,26?,27+,28+,29+,30-,31-,32+,33+,38+,39+,40+,41-,42-,43+,44-,45+,46+,47?,48?,49-,54+,55?,56-,59-/m0/s1