4-(aminomethyl)-N-[(2S)-3-methyl-1-oxidanylidene-1-[[(3S)-1-oxidanyl-2-oxidanylidene-heptan-3-yl]amino]pentan-2-yl]benzamide

Systemtic Name: 4-(aminomethyl)-N-[(2S)-3-methyl-1-oxidanylidene-1-[[(3S)-1-oxidanyl-2-oxidanylidene-heptan-3-yl]amino]pentan-2-yl]benzamide Openeye Name: 4-(aminomethyl)-N-[(1S)-1-[[(1S)-1-(2-hydroxyacetyl)pentyl]carbamoyl]-2-methyl-butyl]benzamide CAS Name: 4-(aminomethyl)-N-[(2S)-1-[[(3S)-1-hydroxy-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide IUPAC Name: 4-(aminomethyl)-N-[(2S)-1-[[(3S)-1-hydroxy-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide Traditional Name: 4-(aminomethyl)-N-[(1S)-1-[[(1S)-1-glycoloylpentyl]carbamoyl]-2-methyl-butyl]benzamide Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CO)NC(=O)C(C(C)CC)NC(=O)C1=CC=C(C=C1)CN

Isomeric SMILES

CCCC[C@@H](C(=O)CO)NC(=O)[C@H](C(C)CC)NC(=O)C1=CC=C(C=C1)CN

InChI

InChI=1S/C21H33N3O4/c1-4-6-7-17(18(26)13-25)23-21(28)19(14(3)5-2)24-20(27)16-10-8-15(12-22)9-11-16/h8-11,14,17,19,25H,4-7,12-13,22H2,1-3H3,(H,23,28)(H,24,27)/t14?,17-,19-/m0/s1