N-(3-azanylpropyl)-2-[3-(8-fluoranyl-4-oxidanylidene-1,5-benzothiazepin-5-yl)propanoylamino]-3-naphthalen-2-yl-propanamide

Systemtic Name: N-(3-azanylpropyl)-2-[3-(8-fluoranyl-4-oxidanylidene-1,5-benzothiazepin-5-yl)propanoylamino]-3-naphthalen-2-yl-propanamide Openeye Name: N-(3-aminopropyl)-2-[3-(8-fluoro-4-oxo-1,5-benzothiazepin-5-yl)propanoylamino]-3-(2-naphthyl)propanamide CAS Name: N-(3-aminopropyl)-2-[[3-(8-fluoro-4-oxo-1,5-benzothiazepin-5-yl)-1-oxopropyl]amino]-3-(2-naphthalenyl)propanamide IUPAC Name: N-(3-aminopropyl)-2-[3-(8-fluoro-4-oxo-1,5-benzothiazepin-5-yl)propanoylamino]-3-naphthalen-2-ylpropanamide Traditional Name: N-(3-aminopropyl)-2-[3-(8-fluoro-4-keto-1,5-benzothiazepin-5-yl)propanoylamino]-3-(2-naphthyl)propionamide Formula: C28H29FN4O3S MolecularWeight: 520.618263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NCCCN)NC(=O)CCN3C4=C(C=C(C=C4)F)SC=CC3=O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NCCCN)NC(=O)CCN3C4=C(C=C(C=C4)F)SC=CC3=O

InChI

InChI=1S/C28H29FN4O3S/c29-22-8-9-24-25(18-22)37-15-11-27(35)33(24)14-10-26(34)32-23(28(36)31-13-3-12-30)17-19-6-7-20-4-1-2-5-21(20)16-19/h1-2,4-9,11,15-16,18,23H,3,10,12-14,17,30H2,(H,31,36)(H,32,34)