5-[bis(azanyl)methylideneamino]-2-[2,2-dimethoxyethyl-[(3-ethoxy-4-methoxy-phenyl)methyl]amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2,2-dimethoxyethyl-[(3-ethoxy-4-methoxy-phenyl)methyl]amino]pentanoic acid Openeye Name: 2-[2,2-dimethoxyethyl-[(3-ethoxy-4-methoxy-phenyl)methyl]amino]-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[2,2-dimethoxyethyl-[(3-ethoxy-4-methoxyphenyl)methyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[2,2-dimethoxyethyl-[(3-ethoxy-4-methoxyphenyl)methyl]amino]pentanoic acid Traditional Name: 2-[2,2-dimethoxyethyl-(3-ethoxy-4-methoxy-benzyl)amino]-5-guanidino-valeric acid Formula: C20H34N4O6 MolecularWeight: 426.50716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN(CC(OC)OC)C(CCCN=C(N)N)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN(CC(OC)OC)C(CCCN=C(N)N)C(=O)O)OC

InChI

InChI=1S/C20H34N4O6/c1-5-30-17-11-14(8-9-16(17)27-2)12-24(13-18(28-3)29-4)15(19(25)26)7-6-10-23-20(21)22/h8-9,11,15,18H,5-7,10,12-13H2,1-4H3,(H,25,26)(H4,21,22,23)