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

Systemtic Name: 2-azanyl-N-[(2R)-3-(1-benzothiophen-3-yl)-1-[[(1R)-1-formamido-2-naphthalen-2-yl-ethyl]amino]-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide Openeye Name: 2-amino-N-[(1R)-1-(benzothiophen-3-ylmethyl)-2-[[(1R)-1-formamido-2-(2-naphthyl)ethyl]amino]-2-oxo-ethyl]-2-methyl-propanamide CAS Name: 2-amino-N-[(2R)-3-(1-benzothiophen-3-yl)-1-[[(1R)-1-formamido-2-(2-naphthalenyl)ethyl]amino]-1-oxopropan-2-yl]-2-methylpropanamide IUPAC Name: 2-amino-N-[(2R)-3-(1-benzothiophen-3-yl)-1-[[(1R)-1-formamido-2-naphthalen-2-ylethyl]amino]-1-oxopropan-2-yl]-2-methylpropanamide Traditional Name: 2-amino-N-[(1R)-1-(benzothiophen-3-ylmethyl)-2-[[(1R)-1-formamido-2-(2-naphthyl)ethyl]amino]-2-keto-ethyl]-2-methyl-propionamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CSC2=CC=CC=C21)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)NC=O)N

Isomeric SMILES

CC(C)(C(=O)N[C@H](CC1=CSC2=CC=CC=C21)C(=O)N[C@H](CC3=CC4=CC=CC=C4C=C3)NC=O)N

InChI

InChI=1S/C28H30N4O3S/c1-28(2,29)27(35)31-23(15-21-16-36-24-10-6-5-9-22(21)24)26(34)32-25(30-17-33)14-18-11-12-19-7-3-4-8-20(19)13-18/h3-13,16-17,23,25H,14-15,29H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t23-,25-/m1/s1