1-(2-azanyl-3-phenyl-propanoyl)-N-[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-3-phenyl-propanoyl)-N-[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-N-methyl-pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3-phenyl-propanoyl)-N-(1-formyl-4-guanidino-butyl)-N-methyl-pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3-phenylpropanoyl)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide Traditional Name: N-(1-formyl-4-guanidino-butyl)-N-methyl-1-phenylalanyl-pyrrolidine-2-carboxamide Formula: C21H32N6O3 MolecularWeight: 416.51718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCN=C(N)N)C=O)C(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CN(C(CCCN=C(N)N)C=O)C(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C21H32N6O3/c1-26(16(14-28)9-5-11-25-21(23)24)20(30)18-10-6-12-27(18)19(29)17(22)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-18H,5-6,9-13,22H2,1H3,(H4,23,24,25)