N-[(2R)-1-[[(1R)-1-acetamido-2-(1H-indol-3-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-(1H-indol-3-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-(1H-indol-3-yl)ethyl]amino]-1-(benzothiophen-3-ylmethyl)-2-oxo-ethyl]-2-amino-2-methyl-propanamide CAS Name: N-[(2R)-1-[[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-amino-2-methylpropanamide IUPAC Name: N-[(2R)-1-[[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-amino-2-methylpropanamide Traditional Name: N-[(1R)-2-[[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]amino]-1-(benzothiophen-3-ylmethyl)-2-keto-ethyl]-2-amino-2-methyl-propionamide Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=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=CNC2=CC=CC=C21)NC(=O)[C@@H](CC3=CSC4=CC=CC=C43)NC(=O)C(C)(C)N

InChI

InChI=1S/C27H31N5O3S/c1-16(33)30-24(13-17-14-29-21-10-6-4-8-19(17)21)32-25(34)22(31-26(35)27(2,3)28)12-18-15-36-23-11-7-5-9-20(18)23/h4-11,14-15,22,24,29H,12-13,28H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)/t22-,24-/m1/s1