N-[(2R)-1-(3-azanylpropylamino)-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-(3-azanylpropylamino)-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-(3-aminopropylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-5-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)pentanamide CAS Name: N-[(2R)-1-(3-aminopropylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-5-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)pentanamide IUPAC Name: N-[(2R)-1-(3-aminopropylamino)-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-(3-aminopropylamino)-2-keto-1-(2-naphthylmethyl)ethyl]-5-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)valeramide Formula: C30H36N4O3S MolecularWeight: 532.69684

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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)NCCCN

Isomeric SMILES

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

InChI

InChI=1S/C30H36N4O3S/c31-16-7-17-32-30(37)25(21-22-13-14-23-8-1-2-9-24(23)20-22)33-28(35)12-5-6-18-34-26-10-3-4-11-27(26)38-19-15-29(34)36/h1-4,8-11,13-14,20,25H,5-7,12,15-19,21,31H2,(H,32,37)(H,33,35)/t25-/m1/s1