3-azanyl-4-[9-[bis(azanyl)methylideneamino]nonanoyl-(1-oxidanylidenepropan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[9-[bis(azanyl)methylideneamino]nonanoyl-(1-oxidanylidenepropan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[9-guanidinononanoyl-(1-methyl-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[9-(diaminomethylideneamino)-1-oxononyl]-(1-oxopropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[9-(diaminomethylideneamino)nonanoyl-(1-oxopropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[9-guanidinononanoyl-(2-keto-1-methyl-ethyl)amino]-4-keto-butyric acid Formula: C17H31N5O5 MolecularWeight: 385.45854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)N(C(=O)CCCCCCCCN=C(N)N)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C=O)N(C(=O)CCCCCCCCN=C(N)N)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C17H31N5O5/c1-12(11-23)22(16(27)13(18)10-15(25)26)14(24)8-6-4-2-3-5-7-9-21-17(19)20/h11-13H,2-10,18H2,1H3,(H,25,26)(H4,19,20,21)