N-(4-azanylbutyl)-3-naphthalen-2-yl-2-[3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoylamino]propanamide

Systemtic Name: N-(4-azanylbutyl)-3-naphthalen-2-yl-2-[3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoylamino]propanamide Openeye Name: N-(4-aminobutyl)-3-(2-naphthyl)-2-[3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoylamino]propanamide CAS Name: N-(4-aminobutyl)-3-(2-naphthalenyl)-2-[[1-oxo-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propyl]amino]propanamide IUPAC Name: N-(4-aminobutyl)-3-naphthalen-2-yl-2-[3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoylamino]propanamide Traditional Name: N-(4-aminobutyl)-2-[3-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoylamino]-3-(2-naphthyl)propionamide Formula: C29H34N4O3S MolecularWeight: 518.67026

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CCC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCCN

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CCC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCCN

InChI

InChI=1S/C29H34N4O3S/c30-15-5-6-16-31-29(36)24(20-21-11-12-22-7-1-2-8-23(22)19-21)32-27(34)13-17-33-25-9-3-4-10-26(25)37-18-14-28(33)35/h1-4,7-12,19,24H,5-6,13-18,20,30H2,(H,31,36)(H,32,34)