[(4S)-4-[2-(2-azaniumylethanoylamino)ethanoylamino]-5-oxidanylidene-5-phenylazanyl-pentyl]-[bis(azanyl)methylidene]azanium

Systemtic Name: [(4S)-4-[2-(2-azaniumylethanoylamino)ethanoylamino]-5-oxidanylidene-5-phenylazanyl-pentyl]-[bis(azanyl)methylidene]azanium Openeye Name: [(4S)-5-anilino-4-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]-5-oxo-pentyl]-(diaminomethylene)ammonium CAS Name: [(4S)-4-[[2-[(2-ammonio-1-oxoethyl)amino]-1-oxoethyl]amino]-5-anilino-5-oxopentyl]-(diaminomethylidene)ammonium IUPAC Name: [(4S)-5-anilino-4-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium Traditional Name: [(4S)-4-[[2-[(2-ammonioacetyl)amino]acetyl]amino]-5-anilino-5-keto-pentyl]-(diaminomethylene)ammonium Formula: C16H27N7O3+2 MolecularWeight: 365.43068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)CNC(=O)C[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)CNC(=O)C[NH3+]

InChI

InChI=1S/C16H25N7O3/c17-9-13(24)21-10-14(25)23-12(7-4-8-20-16(18)19)15(26)22-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,17H2,(H,21,24)(H,22,26)(H,23,25)(H4,18,19,20)/p+2/t12-/m0/s1