(phenylmethyl) N-[6-[(2-azanyl-2-oxidanylidene-ethyl)amino]-6-oxidanylidene-5-(pyrrolidin-2-ylcarbonylamino)hexyl]carbamate

Systemtic Name: (phenylmethyl) N-[6-[(2-azanyl-2-oxidanylidene-ethyl)amino]-6-oxidanylidene-5-(pyrrolidin-2-ylcarbonylamino)hexyl]carbamate Openeye Name: benzyl N-[6-[(2-amino-2-oxo-ethyl)amino]-6-oxo-5-(pyrrolidine-2-carbonylamino)hexyl]carbamate CAS Name: N-[6-[(2-amino-2-oxoethyl)amino]-6-oxo-5-[[oxo(2-pyrrolidinyl)methyl]amino]hexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-[(2-amino-2-oxoethyl)amino]-6-oxo-5-(pyrrolidine-2-carbonylamino)hexyl]carbamate Traditional Name: N-[6-[(2-amino-2-keto-ethyl)amino]-6-keto-5-(prolylamino)hexyl]carbamic acid benzyl ester Formula: C21H31N5O5 MolecularWeight: 433.50134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O5/c22-18(27)13-25-19(28)17(26-20(29)16-10-6-12-23-16)9-4-5-11-24-21(30)31-14-15-7-2-1-3-8-15/h1-3,7-8,16-17,23H,4-6,9-14H2,(H2,22,27)(H,24,30)(H,25,28)(H,26,29)