methyl 5-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]-nitro-amino]-4-methyl-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]-nitro-amino]-4-methyl-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[(1-benzyloxycarbonyl-4-guanidino-butyl)-nitro-amino]-4-methyl-5-oxo-pentanoate CAS Name: 5-[[5-(diaminomethylideneamino)-1-oxo-1-phenylmethoxypentan-2-yl]-nitroamino]-4-methyl-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[5-(diaminomethylideneamino)-1-oxo-1-phenylmethoxypentan-2-yl]-nitroamino]-4-methyl-5-oxopentanoate Traditional Name: 5-[(1-carbobenzoxy-4-guanidino-butyl)-nitro-amino]-5-keto-4-methyl-valeric acid methyl ester Formula: C20H29N5O7 MolecularWeight: 451.47356

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C(=O)N(C(CCCN=C(N)N)C(=O)OCC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CCC(=O)OC)C(=O)N(C(CCCN=C(N)N)C(=O)OCC1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O7/c1-14(10-11-17(26)31-2)18(27)24(25(29)30)16(9-6-12-23-20(21)22)19(28)32-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H4,21,22,23)