(phenylmethyl) 5-[bis(azanyl)methylideneamino]-2-(pyrrolidin-2-ylcarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) 5-[bis(azanyl)methylideneamino]-2-(pyrrolidin-2-ylcarbonylamino)pentanoate Openeye Name: benzyl 5-guanidino-2-(pyrrolidine-2-carbonylamino)pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[[oxo(2-pyrrolidinyl)methyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(diaminomethylideneamino)-2-(pyrrolidine-2-carbonylamino)pentanoate Traditional Name: 5-guanidino-2-(prolylamino)valeric acid benzyl ester Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CCCN=C(N)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CC(NC1)C(=O)NC(CCCN=C(N)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H27N5O3/c19-18(20)22-11-5-9-15(23-16(24)14-8-4-10-21-14)17(25)26-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,21H,4-5,8-12H2,(H,23,24)(H4,19,20,22)