3-[6-[bis(azanyl)methylideneamino]hexanoyl-[2-[(phenylmethyl)amino]ethanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[6-[bis(azanyl)methylideneamino]hexanoyl-[2-[(phenylmethyl)amino]ethanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-(benzylamino)acetyl]-(6-guanidinohexanoyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[6-(diaminomethylideneamino)-1-oxohexyl]-[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-(benzylamino)acetyl]-[6-(diaminomethylideneamino)hexanoyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-(benzylamino)acetyl]-(6-guanidinohexanoyl)amino]-4-keto-butyric acid Formula: C20H29N5O5 MolecularWeight: 419.47476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(=O)N(C(CC(=O)O)C=O)C(=O)CCCCCN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CNCC(=O)N(C(CC(=O)O)C=O)C(=O)CCCCCN=C(N)N

InChI

InChI=1S/C20H29N5O5/c21-20(22)24-10-6-2-5-9-17(27)25(16(14-26)11-19(29)30)18(28)13-23-12-15-7-3-1-4-8-15/h1,3-4,7-8,14,16,23H,2,5-6,9-13H2,(H,29,30)(H4,21,22,24)