N-[(2R)-1-(2-azanylethylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-5-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)pentanamide

Systemtic Name: N-[(2R)-1-(2-azanylethylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-5-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)pentanamide Openeye Name: N-[(1R)-2-(2-aminoethylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-5-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)pentanamide CAS Name: N-[(2R)-1-(2-aminoethylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-5-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)pentanamide IUPAC Name: N-[(2R)-1-(2-aminoethylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)pentanamide Traditional Name: N-[(1R)-2-(2-aminoethylamino)-2-keto-1-(2-naphthylmethyl)ethyl]-5-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)valeramide Formula: C29H34N4O3S MolecularWeight: 518.67026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CCCCC(=O)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCN

InChI

InChI=1S/C29H34N4O3S/c30-15-16-31-29(36)24(20-21-12-13-22-7-1-2-8-23(22)19-21)32-27(34)11-5-6-17-33-25-9-3-4-10-26(25)37-18-14-28(33)35/h1-4,7-10,12-13,19,24H,5-6,11,14-18,20,30H2,(H,31,36)(H,32,34)/t24-/m1/s1