(2R)-2-[2-[[(2S)-4-[2-[2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-azanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2R)-2-[2-[[(2S)-4-[2-[2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-azanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: (2R)-2-[[2-[[(2S)-4-[2-[2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethoxy]ethoxy]ethylamino]-2-amino-4-oxo-butanoyl]amino]acetyl]amino]-3-hydroxy-propanoic acid CAS Name: (2R)-2-[[2-[[(2S)-4-[2-[2-[2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethoxy]ethoxy]ethylamino]-2-amino-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2R)-2-[[2-[[(2S)-4-[2-[2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]-2-amino-4-oxobutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid Traditional Name: (2R)-2-[[2-[[(2S)-4-[2-[2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxyethoxy]ethoxy]ethylamino]-2-amino-4-keto-butanoyl]amino]acetyl]amino]-3-hydroxy-propionic acid Formula: C23H41N5O14 MolecularWeight: 611.59674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCCOCCOCCNC(=O)CC(C(=O)NCC(=O)NC(CO)C(=O)O)N)CO)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCOCCOCCNC(=O)C[C@@H](C(=O)NCC(=O)N[C@H](CO)C(=O)O)N)CO)O)O

InChI

InChI=1S/C23H41N5O14/c1-12(31)27-18-20(35)19(34)15(11-30)42-23(18)41-7-6-40-5-4-39-3-2-25-16(32)8-13(24)21(36)26-9-17(33)28-14(10-29)22(37)38/h13-15,18-20,23,29-30,34-35H,2-11,24H2,1H3,(H,25,32)(H,26,36)(H,27,31)(H,28,33)(H,37,38)/t13-,14+,15+,18+,19+,20+,23+/m0/s1