(2S,3S,4S,5R,6R)-6-[(E,13R)-28-[carbamimidoyl(methyl)amino]-2,12,14,16,22-pentamethyl-1-oxidanylidene-1-[(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)amino]octacos-14-en-13-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6R)-6-[(E,13R)-28-[carbamimidoyl(methyl)amino]-2,12,14,16,22-pentamethyl-1-oxidanylidene-1-[(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)amino]octacos-14-en-13-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-6-[(E,1R)-16-[carbamimidoyl(methyl)amino]-1-[12-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-1,11-dimethyl-12-oxo-dodecyl]-2,4,10-trimethyl-hexadec-2-enoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-6-[(E,13R)-28-[carbamimidoyl(methyl)amino]-1-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-2,12,14,16,22-pentamethyl-1-oxooctacos-14-en-13-yl]oxy-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-6-[(E,13R)-28-[carbamimidoyl(methyl)amino]-1-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-2,12,14,16,22-pentamethyl-1-oxooctacos-14-en-13-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-6-[(E,1R)-16-[amidino(methyl)amino]-1-[12-[(2-hydroxy-5-keto-cyclopenten-1-yl)amino]-12-keto-1,11-dimethyl-dodecyl]-2,4,10-trimethyl-hexadec-2-enoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C46H82N4O10 MolecularWeight: 851.16408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCN(C)C(=N)N)CCCCCC(C)C=C(C)C(C(C)CCCCCCCCCC(C)C(=O)NC1=C(CCC1=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O

Isomeric SMILES

CC(CCCCCCN(C)C(=N)N)CCCCCC(C)/C=C(\C)/[C@@H](C(C)CCCCCCCCCC(C)C(=O)NC1=C(CCC1=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

InChI

InChI=1S/C46H82N4O10/c1-30(21-15-12-13-20-28-50(6)46(47)48)22-16-14-17-23-31(2)29-34(5)41(59-45-40(55)38(53)39(54)42(60-45)44(57)58)32(3)24-18-10-8-7-9-11-19-25-33(4)43(56)49-37-35(51)26-27-36(37)52/h29-33,38-42,45,51,53-55H,7-28H2,1-6H3,(H3,47,48)(H,49,56)(H,57,58)/b34-29+/t30?,31?,32?,33?,38-,39-,40+,41+,42-,45+/m0/s1