(2R,5S)-5-azanyl-8-[bis(azanyl)methylideneamino]-2-[(4-hydroxyphenyl)methyl]-4-oxidanylidene-octanoic acid

Systemtic Name: (2R,5S)-5-azanyl-8-[bis(azanyl)methylideneamino]-2-[(4-hydroxyphenyl)methyl]-4-oxidanylidene-octanoic acid Openeye Name: (2R,5S)-5-amino-8-guanidino-2-[(4-hydroxyphenyl)methyl]-4-oxo-octanoic acid CAS Name: (2R,5S)-5-amino-8-(diaminomethylideneamino)-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid IUPAC Name: (2R,5S)-5-amino-8-(diaminomethylideneamino)-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid Traditional Name: (2R,5S)-5-amino-8-guanidino-2-(4-hydroxybenzyl)-4-keto-caprylic acid Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(=O)C(CCCN=C(N)N)N)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C[C@H](CC(=O)[C@H](CCCN=C(N)N)N)C(=O)O)O

InChI

InChI=1S/C16H24N4O4/c17-13(2-1-7-20-16(18)19)14(22)9-11(15(23)24)8-10-3-5-12(21)6-4-10/h3-6,11,13,21H,1-2,7-9,17H2,(H,23,24)(H4,18,19,20)/t11-,13+/m1/s1