(phenylmethyl) 2-azanyl-5-[bis(azanyl)methylideneamino]-2-[(4-nitrophenyl)carbamoyl]pentanoate

Systemtic Name: (phenylmethyl) 2-azanyl-5-[bis(azanyl)methylideneamino]-2-[(4-nitrophenyl)carbamoyl]pentanoate Openeye Name: benzyl 2-amino-5-guanidino-2-[(4-nitrophenyl)carbamoyl]pentanoate CAS Name: 2-amino-5-(diaminomethylideneamino)-2-[(4-nitroanilino)-oxomethyl]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-5-(diaminomethylideneamino)-2-[(4-nitrophenyl)carbamoyl]pentanoate Traditional Name: 2-amino-5-guanidino-2-[(4-nitrophenyl)carbamoyl]valeric acid benzyl ester Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCN=C(N)N)(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCCN=C(N)N)(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C20H24N6O5/c21-19(22)24-12-4-11-20(23,18(28)31-13-14-5-2-1-3-6-14)17(27)25-15-7-9-16(10-8-15)26(29)30/h1-3,5-10H,4,11-13,23H2,(H,25,27)(H4,21,22,24)