(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methoxyamino]butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methoxyamino]butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-1-[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methoxyamino]butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[(2S)-1-[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-1-oxo-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-oxanyl]methoxyamino]butyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-1-[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methoxyamino]butanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-1-[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methoxyamino]butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]butanoyl]prolyl]amino]glutaric acid Formula: C37H60N8O16 MolecularWeight: 872.9163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(C(C)C)NOCC3(C(C(C(CO3)O)O)O)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C(C)C)NOC[C@@]3([C@H]([C@@H]([C@@H](CO3)O)O)O)O)O

InChI

InChI=1S/C37H60N8O16/c1-17(2)11-22(32(53)43-28(19(5)46)35(56)45-10-6-7-24(45)33(54)40-21(36(57)58)8-9-26(48)49)41-31(52)23(12-20-13-38-16-39-20)42-34(55)27(18(3)4)44-61-15-37(59)30(51)29(50)25(47)14-60-37/h13,16-19,21-25,27-30,44,46-47,50-51,59H,6-12,14-15H2,1-5H3,(H,38,39)(H,40,54)(H,41,52)(H,42,55)(H,43,53)(H,48,49)(H,57,58)/t19-,21+,22+,23+,24+,25-,27+,28+,29-,30+,37-/m1/s1