N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-2-(2-cyclohexylethanoylamino)-2-methyl-propanamide

Systemtic Name: N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-2-(2-cyclohexylethanoylamino)-2-methyl-propanamide Openeye Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-2-[(2-cyclohexylacetyl)amino]-2-methyl-propanamide CAS Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-2-[(2-cyclohexyl-1-oxoethyl)amino]-2-methylpropanamide IUPAC Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]-2-methylpropanamide Traditional Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-2-[(2-cyclohexylacetyl)amino]-2-methyl-propionamide Formula: C28H40N4O4 MolecularWeight: 496.6416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NCC(CN)O)NC(=O)CC3CCCCC3

Isomeric SMILES

CC(C)(C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NCC(CN)O)NC(=O)CC3CCCCC3

InChI

InChI=1S/C28H40N4O4/c1-28(2,32-25(34)16-19-8-4-3-5-9-19)27(36)31-24(26(35)30-18-23(33)17-29)15-20-12-13-21-10-6-7-11-22(21)14-20/h6-7,10-14,19,23-24,33H,3-5,8-9,15-18,29H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)