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

Systemtic Name: N-(aminomethyl)-3-naphthalen-2-yl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]propanamide Openeye Name: N-(aminomethyl)-3-(2-naphthyl)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]propanamide CAS Name: N-(aminomethyl)-3-(2-naphthalenyl)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethyl]amino]propanamide IUPAC Name: N-(aminomethyl)-3-naphthalen-2-yl-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]propanamide Traditional Name: N-(aminomethyl)-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]-3-(2-naphthyl)propionamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3S/c26-16-27-25(32)20(14-17-9-10-18-5-1-2-6-19(18)13-17)28-23(30)15-29-21-7-3-4-8-22(21)33-12-11-24(29)31/h1-10,13,20H,11-12,14-16,26H2,(H,27,32)(H,28,30)