4-[bis(azanyl)methylideneamino]-N-[(3R,4R,5S,6R)-6-(methoxymethyl)-5-oxidanyl-2-phenethyloxy-4-[(4-phenylphenyl)methoxy]oxan-3-yl]butanamide

Systemtic Name: 4-[bis(azanyl)methylideneamino]-N-[(3R,4R,5S,6R)-6-(methoxymethyl)-5-oxidanyl-2-phenethyloxy-4-[(4-phenylphenyl)methoxy]oxan-3-yl]butanamide Openeye Name: 4-guanidino-N-[(3R,4R,5S,6R)-5-hydroxy-6-(methoxymethyl)-2-phenethyloxy-4-[(4-phenylphenyl)methoxy]tetrahydropyran-3-yl]butanamide CAS Name: 4-(diaminomethylideneamino)-N-[(3R,4R,5S,6R)-5-hydroxy-6-(methoxymethyl)-2-phenethyloxy-4-[(4-phenylphenyl)methoxy]-3-oxanyl]butanamide IUPAC Name: 4-(diaminomethylideneamino)-N-[(3R,4R,5S,6R)-5-hydroxy-6-(methoxymethyl)-2-phenethyloxy-4-[(4-phenylphenyl)methoxy]oxan-3-yl]butanamide Traditional Name: 4-guanidino-N-[(3R,4R,5S,6R)-5-hydroxy-6-(methoxymethyl)-2-phenethyloxy-4-(4-phenylbenzyl)oxy-tetrahydropyran-3-yl]butyramide Formula: C33H42N4O6 MolecularWeight: 590.70978

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C(C(C(C(O1)OCCC2=CC=CC=C2)NC(=O)CCCN=C(N)N)OCC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCCC2=CC=CC=C2)NC(=O)CCCN=C(N)N)OCC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C33H42N4O6/c1-40-22-27-30(39)31(42-21-24-14-16-26(17-15-24)25-11-6-3-7-12-25)29(37-28(38)13-8-19-36-33(34)35)32(43-27)41-20-18-23-9-4-2-5-10-23/h2-7,9-12,14-17,27,29-32,39H,8,13,18-22H2,1H3,(H,37,38)(H4,34,35,36)/t27-,29-,30-,31-,32?/m1/s1