N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)butanamide

Systemtic Name: N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)butanamide Openeye Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)butanamide CAS Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)butanamide IUPAC Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)butanamide Traditional Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-3-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)butyramide Formula: C29H34N4O4S MolecularWeight: 534.66966

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NCC(CN)O)N3C(=O)CCSC4=CC=CC=C43

Isomeric SMILES

CC(CC(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NCC(CN)O)N3C(=O)CCSC4=CC=CC=C43

InChI

InChI=1S/C29H34N4O4S/c1-19(33-25-8-4-5-9-26(25)38-13-12-28(33)36)14-27(35)32-24(29(37)31-18-23(34)17-30)16-20-10-11-21-6-2-3-7-22(21)15-20/h2-11,15,19,23-24,34H,12-14,16-18,30H2,1H3,(H,31,37)(H,32,35)