N-[(2S)-2,6-bis(azanyl)hexanoyl]-4-(2-methanoyl-5-prop-1-en-2-yl-cyclohexen-1-yl)benzamide

Systemtic Name: N-[(2S)-2,6-bis(azanyl)hexanoyl]-4-(2-methanoyl-5-prop-1-en-2-yl-cyclohexen-1-yl)benzamide Openeye Name: N-[(2S)-2,6-diaminohexanoyl]-4-(2-formyl-5-isopropenyl-cyclohexen-1-yl)benzamide CAS Name: N-[(2S)-2,6-diamino-1-oxohexyl]-4-[2-formyl-5-(1-methylethenyl)-1-cyclohexenyl]benzamide IUPAC Name: N-[(2S)-2,6-diaminohexanoyl]-4-(2-formyl-5-prop-1-en-2-ylcyclohexen-1-yl)benzamide Traditional Name: N-[(2S)-2,6-diaminohexanoyl]-4-(2-formyl-5-isopropenyl-cyclohexen-1-yl)benzamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=C(C1)C2=CC=C(C=C2)C(=O)NC(=O)C(CCCCN)N)C=O

Isomeric SMILES

CC(=C)C1CCC(=C(C1)C2=CC=C(C=C2)C(=O)NC(=O)[C@H](CCCCN)N)C=O

InChI

InChI=1S/C23H31N3O3/c1-15(2)18-10-11-19(14-27)20(13-18)16-6-8-17(9-7-16)22(28)26-23(29)21(25)5-3-4-12-24/h6-9,14,18,21H,1,3-5,10-13,24-25H2,2H3,(H,26,28,29)/t18?,21-/m0/s1