phenylmethoxycarbonyl (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-4-nitro-pentanoate

Systemtic Name: phenylmethoxycarbonyl (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-4-nitro-pentanoate Openeye Name: benzyloxycarbonyl (2S)-2-amino-5-guanidino-4-nitro-pentanoate CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)-4-nitropentanoic acid phenylmethoxycarbonyl ester IUPAC Name: phenylmethoxycarbonyl (2S)-2-amino-5-(diaminomethylideneamino)-4-nitropentanoate Traditional Name: (2S)-2-amino-5-guanidino-4-nitro-valeric acid carbobenzoxy ester Formula: C14H19N5O6 MolecularWeight: 353.33056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)OC(=O)C(CC(CN=C(N)N)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)OC(=O)[C@H](CC(CN=C(N)N)[N+](=O)[O-])N

InChI

InChI=1S/C14H19N5O6/c15-11(6-10(19(22)23)7-18-13(16)17)12(20)25-14(21)24-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H4,16,17,18)/t10?,11-/m0/s1