(phenylmethyl) 2-[[6-azanyl-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[6-azanyl-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[5-amino-1-[(2-amino-2-oxo-ethyl)carbamoyl]pentyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[5-amino-1-[(2-amino-2-keto-ethyl)carbamoyl]pentyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H31N5O5 MolecularWeight: 433.50134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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