3-azanyl-4-[9-[bis(azanyl)methylideneamino]nonanoyl-(3-oxidanylidenepropyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[9-[bis(azanyl)methylideneamino]nonanoyl-(3-oxidanylidenepropyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[9-guanidinononanoyl(3-oxopropyl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[9-(diaminomethylideneamino)-1-oxononyl]-(3-oxopropyl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[9-(diaminomethylideneamino)nonanoyl-(3-oxopropyl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[9-guanidinononanoyl(3-ketopropyl)amino]-4-keto-butyric acid Formula: C17H31N5O5 MolecularWeight: 385.45854

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCN=C(N)N)CCCC(=O)N(CCC=O)C(=O)C(CC(=O)O)N

Isomeric SMILES

C(CCCCN=C(N)N)CCCC(=O)N(CCC=O)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C17H31N5O5/c18-13(12-15(25)26)16(27)22(10-7-11-23)14(24)8-5-3-1-2-4-6-9-21-17(19)20/h11,13H,1-10,12,18H2,(H,25,26)(H4,19,20,21)