2,3-bis(azanyl)-2-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-methyl-5-thiophen-2-yl-pentanoic acid

Systemtic Name: 2,3-bis(azanyl)-2-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-methyl-5-thiophen-2-yl-pentanoic acid Openeye Name: 2,3-diamino-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-methyl-5-(2-thienyl)pentanoic acid CAS Name: 2,3-diamino-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-methyl-5-thiophen-2-ylpentanoic acid IUPAC Name: 2,3-diamino-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-methyl-5-thiophen-2-ylpentanoic acid Traditional Name: 2,3-diamino-2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-3-methyl-5-(2-thienyl)valeric acid Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CS1)(C(C2CCCCC(=N2)N)(C(=O)O)N)N

Isomeric SMILES

CC(CCC1=CC=CS1)(C(C2CCCCC(=N2)N)(C(=O)O)N)N

InChI

InChI=1S/C16H26N4O2S/c1-15(18,9-8-11-5-4-10-23-11)16(19,14(21)22)12-6-2-3-7-13(17)20-12/h4-5,10,12H,2-3,6-9,18-19H2,1H3,(H2,17,20)(H,21,22)