2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[5-amino-5-keto-2-(tyrosylamino)pentanoyl]amino]-5-guanidino-valeric acid Formula: C20H31N7O6 MolecularWeight: 465.50344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N7O6/c21-13(10-11-3-5-12(28)6-4-11)17(30)26-14(7-8-16(22)29)18(31)27-15(19(32)33)2-1-9-25-20(23)24/h3-6,13-15,28H,1-2,7-10,21H2,(H2,22,29)(H,26,30)(H,27,31)(H,32,33)(H4,23,24,25)