(2Z,9Z)-3,9-bis(azanyl)-5,7-bis[(Z)-2-azanyl-4-oxidanyl-4-oxidanylidene-but-2-enyl]-6-[(2Z,7E)-3,7-bis(azanyl)-1,5,9-tris(oxidanyl)-1,9-bis(oxidanylidene)nona-2,7-dien-5-yl]-6-(hydroxymethyl)-5,7-bis(oxidanyl)undeca-2,9-dienedioic acid

Systemtic Name: (2Z,9Z)-3,9-bis(azanyl)-5,7-bis[(Z)-2-azanyl-4-oxidanyl-4-oxidanylidene-but-2-enyl]-6-[(2Z,7E)-3,7-bis(azanyl)-1,5,9-tris(oxidanyl)-1,9-bis(oxidanylidene)nona-2,7-dien-5-yl]-6-(hydroxymethyl)-5,7-bis(oxidanyl)undeca-2,9-dienedioic acid Openeye Name: (2Z,9Z)-3,9-diamino-6-[(Z)-3-amino-1-[(E)-2-amino-4-hydroxy-4-oxo-but-2-enyl]-1,5-dihydroxy-5-oxo-pent-3-enyl]-5,7-bis[(Z)-2-amino-4-hydroxy-4-oxo-but-2-enyl]-5,7-dihydroxy-6-(hydroxymethyl)undeca-2,9-dienedioic acid CAS Name: (2Z,9Z)-3,9-diamino-5,7-bis[(Z)-2-amino-4-hydroxy-4-oxobut-2-enyl]-6-[(2Z,7E)-3,7-diamino-1,5,9-trihydroxy-1,9-dioxonona-2,7-dien-5-yl]-5,7-dihydroxy-6-(hydroxymethyl)undeca-2,9-dienedioic acid IUPAC Name: (2Z,9Z)-3,9-diamino-5,7-bis[(Z)-2-amino-4-hydroxy-4-oxobut-2-enyl]-6-[(2Z,7E)-3,7-diamino-1,5,9-trihydroxy-1,9-dioxonona-2,7-dien-5-yl]-5,7-dihydroxy-6-(hydroxymethyl)undeca-2,9-dienedioic acid Traditional Name: (2Z,9Z)-3,9-diamino-6-[(Z)-3-amino-1-[(E)-2-amino-4-hydroxy-4-keto-but-2-enyl]-1,5-dihydroxy-5-keto-pent-3-enyl]-5,7-bis[(Z)-2-amino-4-hydroxy-4-keto-but-2-enyl]-5,7-dihydroxy-6-methylol-undeca-2,9-dienedioic acid Formula: C29H42N6O16 MolecularWeight: 730.67438

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=CC(=O)O)N)C(CC(=CC(=O)O)N)(C(CO)(C(CC(=CC(=O)O)N)(CC(=CC(=O)O)N)O)C(CC(=CC(=O)O)N)(CC(=CC(=O)O)N)O)O

Isomeric SMILES

C(C(O)(C(C(O)(C/C(=C/C(=O)O)/N)C/C(=C/C(=O)O)/N)(C(O)(C/C(=C/C(=O)O)/N)C/C(=C/C(=O)O)/N)CO)C/C(=C/C(=O)O)/N)/C(=C\C(=O)O)/N

InChI

InChI=1S/C29H42N6O16/c30-14(1-20(37)38)7-26(49,8-15(31)2-21(39)40)29(13-36,27(50,9-16(32)3-22(41)42)10-17(33)4-23(43)44)28(51,11-18(34)5-24(45)46)12-19(35)6-25(47)48/h1-6,36,49-51H,7-13,30-35H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b14-1-,15-2-,16-3-,17-4-,18-5-,19-6+