5-[bis(azanyl)methylideneamino]-2-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]pentanoic acid Openeye Name: 2-[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-(1-bromo-2-naphthoxy)acetyl]amino]-5-guanidino-valeric acid Formula: C18H21BrN4O4 MolecularWeight: 437.28774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C18H21BrN4O4/c19-16-12-5-2-1-4-11(12)7-8-14(16)27-10-15(24)23-13(17(25)26)6-3-9-22-18(20)21/h1-2,4-5,7-8,13H,3,6,9-10H2,(H,23,24)(H,25,26)(H4,20,21,22)