(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]butanoic acid CAS Name: (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-1-oxo-2-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]amino]butyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]butanoic acid IUPAC Name: (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]butanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]butanoic acid Traditional Name: (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]amino]butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]butyric acid Formula: C27H46N6O11 MolecularWeight: 630.68774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(C(C)C)NC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](C(C)C)NC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

InChI

InChI=1S/C27H46N6O11/c1-11(2)6-15(24(40)32-19(13(5)35)27(42)43)30-23(39)16(7-14-8-28-10-29-14)31-25(41)18(12(3)4)33-26-22(38)21(37)20(36)17(9-34)44-26/h8,10-13,15-22,26,33-38H,6-7,9H2,1-5H3,(H,28,29)(H,30,39)(H,31,41)(H,32,40)(H,42,43)/t13-,15+,16+,17-,18+,19+,20-,21+,22-,26?/m1/s1