1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid; hydrate

Systemtic Name: 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid; hydrate Openeye Name: 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; hydrate CAS Name: 1-[[(Z)-(5-methoxy-3-indolylidene)methyl]amino]-2-pentylguanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; hydrate IUPAC Name: 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentylguanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; hydrate Traditional Name: 2-amyl-1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; hydrate Formula: C44H72N10O17 MolecularWeight: 1013.09928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)OC.CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)OC.C(C(C(C(C(C(=O)O)O)O)O)O)O.C(C(C(C(C(C(=O)O)O)O)O)O)O.O

Isomeric SMILES

CCCCCN=C(NN/C=C\1/C2=C(N=C1)C=CC(=C2)OC)N.CCCCCN=C(NN/C=C\1/C2=C(N=C1)C=CC(=C2)OC)N.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.O

InChI

InChI=1S/2C16H23N5O.2C6H12O7.H2O/c2*1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*6-7,9-11,20H,3-5,8H2,1-2H3,(H3,17,18,21);2*2-5,7-11H,1H2,(H,12,13);1H2/b2*12-11+;;;/t;;2*2-,3-,4+,5-;/m..11./s1