(2R)-5-[azanyl(nitramido)methylidene]azaniumyl-2-(2-benzamidoethanoylamino)pentanoate

Systemtic Name: (2R)-5-[azanyl(nitramido)methylidene]azaniumyl-2-(2-benzamidoethanoylamino)pentanoate Openeye Name: (2R)-5-[amino(nitramido)methylene]ammonio-2-[(2-benzamidoacetyl)amino]pentanoate CAS Name: (2R)-5-[amino(nitramido)methylidene]ammonio-2-[(2-benzamido-1-oxoethyl)amino]pentanoate IUPAC Name: (2R)-5-[amino(nitramido)methylidene]azaniumyl-2-[(2-benzamidoacetyl)amino]pentanoate Traditional Name: (2R)-5-[amino(nitramido)methylene]ammonio-2-(hippuroylamino)valerate Formula: C15H20N6O6 MolecularWeight: 380.3559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(=O)NC(CCC[NH+]=C(N)N[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)N[C@H](CCC[NH+]=C(N)N[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H20N6O6/c16-15(20-21(26)27)17-8-4-7-11(14(24)25)19-12(22)9-18-13(23)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,23)(H,19,22)(H,24,25)(H3,16,17,20)/t11-/m1/s1