tert-butyl (NE)-N-[2-azanyl-1-[2,6-bis(azanyl)hexanoyl]-2-methyl-pyrrolidin-3-ylidene]carbamate

Systemtic Name: tert-butyl (NE)-N-[2-azanyl-1-[2,6-bis(azanyl)hexanoyl]-2-methyl-pyrrolidin-3-ylidene]carbamate Openeye Name: tert-butyl (NE)-N-[2-amino-1-(2,6-diaminohexanoyl)-2-methyl-pyrrolidin-3-ylidene]carbamate CAS Name: (NE)-N-[2-amino-1-(2,6-diamino-1-oxohexyl)-2-methyl-3-pyrrolidinylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[2-amino-1-(2,6-diaminohexanoyl)-2-methylpyrrolidin-3-ylidene]carbamate Traditional Name: (NE)-N-[2-amino-1-(2,6-diaminohexanoyl)-2-methyl-pyrrolidin-3-ylidene]carbamic acid tert-butyl ester Formula: C16H31N5O3 MolecularWeight: 341.44904

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC(=O)OC(C)(C)C)CCN1C(=O)C(CCCCN)N)N

Isomeric SMILES

CC1(/C(=N/C(=O)OC(C)(C)C)/CCN1C(=O)C(CCCCN)N)N

InChI

InChI=1S/C16H31N5O3/c1-15(2,3)24-14(23)20-12-8-10-21(16(12,4)19)13(22)11(18)7-5-6-9-17/h11H,5-10,17-19H2,1-4H3/b20-12+