2-[(2R,3S,4R,5R,6R)-5-[3-[bis(azanyl)methylideneamino]propanoylamino]-2-[(4-chlorophenyl)methoxymethyl]-6-ethoxy-3-oxidanyl-oxan-4-yl]oxyethanoic acid

Systemtic Name: 2-[(2R,3S,4R,5R,6R)-5-[3-[bis(azanyl)methylideneamino]propanoylamino]-2-[(4-chlorophenyl)methoxymethyl]-6-ethoxy-3-oxidanyl-oxan-4-yl]oxyethanoic acid Openeye Name: 2-[(2R,3S,4R,5R,6R)-2-[(4-chlorophenyl)methoxymethyl]-6-ethoxy-5-(3-guanidinopropanoylamino)-3-hydroxy-tetrahydropyran-4-yl]oxyacetic acid CAS Name: 2-[[(2R,3S,4R,5R,6R)-2-[(4-chlorophenyl)methoxymethyl]-5-[[3-(diaminomethylideneamino)-1-oxopropyl]amino]-6-ethoxy-3-hydroxy-4-oxanyl]oxy]acetic acid IUPAC Name: 2-[(2R,3S,4R,5R,6R)-2-[(4-chlorophenyl)methoxymethyl]-5-[3-(diaminomethylideneamino)propanoylamino]-6-ethoxy-3-hydroxyoxan-4-yl]oxyacetic acid Traditional Name: 2-[(2R,3S,4R,5R,6R)-2-[(4-chlorobenzyl)oxymethyl]-6-ethoxy-5-(3-guanidinopropanoylamino)-3-hydroxy-tetrahydropyran-4-yl]oxyacetic acid Formula: C21H31ClN4O8 MolecularWeight: 502.94584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C(C(C(O1)COCC2=CC=C(C=C2)Cl)O)OCC(=O)O)NC(=O)CCN=C(N)N

Isomeric SMILES

CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=C(C=C2)Cl)O)OCC(=O)O)NC(=O)CCN=C(N)N

InChI

InChI=1S/C21H31ClN4O8/c1-2-32-20-17(26-15(27)7-8-25-21(23)24)19(33-11-16(28)29)18(30)14(34-20)10-31-9-12-3-5-13(22)6-4-12/h3-6,14,17-20,30H,2,7-11H2,1H3,(H,26,27)(H,28,29)(H4,23,24,25)/t14-,17-,18-,19-,20-/m1/s1