(phenylmethyl) 2-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(1-formyl-4-guanidino-butyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(1-formyl-4-guanidino-butyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C=O

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C=O

InChI

InChI=1S/C19H27N5O4/c20-18(21)22-10-4-8-15(12-25)23-17(26)16-9-5-11-24(16)19(27)28-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2,(H,23,26)(H4,20,21,22)