N-[(2R)-1-[[(1R)-1-acetamido-2-naphthalen-1-yl-ethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxidanylidene-propan-2-yl]-2-azanyl-2-methyl-propanamide

Systemtic Name: N-[(2R)-1-[[(1R)-1-acetamido-2-naphthalen-1-yl-ethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxidanylidene-propan-2-yl]-2-azanyl-2-methyl-propanamide Openeye Name: N-[(1R)-2-[[(1R)-1-acetamido-2-(1-naphthyl)ethyl]amino]-1-(benzothiophen-3-ylmethyl)-2-oxo-ethyl]-2-amino-2-methyl-propanamide CAS Name: N-[(2R)-1-[[(1R)-1-acetamido-2-(1-naphthalenyl)ethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-amino-2-methylpropanamide IUPAC Name: N-[(2R)-1-[[(1R)-1-acetamido-2-naphthalen-1-ylethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-amino-2-methylpropanamide Traditional Name: N-[(1R)-2-[[(1R)-1-acetamido-2-(1-naphthyl)ethyl]amino]-1-(benzothiophen-3-ylmethyl)-2-keto-ethyl]-2-amino-2-methyl-propionamide Formula: C29H32N4O3S MolecularWeight: 516.65438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC2=CC=CC=C21)NC(=O)C(CC3=CSC4=CC=CC=C43)NC(=O)C(C)(C)N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC2=CC=CC=C21)NC(=O)[C@@H](CC3=CSC4=CC=CC=C43)NC(=O)C(C)(C)N

InChI

InChI=1S/C29H32N4O3S/c1-18(34)31-26(16-20-11-8-10-19-9-4-5-12-22(19)20)33-27(35)24(32-28(36)29(2,3)30)15-21-17-37-25-14-7-6-13-23(21)25/h4-14,17,24,26H,15-16,30H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)/t24-,26-/m1/s1