(2S)-N-[(1S)-1-cyclohexyl-2-[(2S,3R)-2-[[ethyl(phenethyl)amino]methyl]-3-methyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-(methylamino)propanamide

Systemtic Name: (2S)-N-[(1S)-1-cyclohexyl-2-[(2S,3R)-2-[[ethyl(phenethyl)amino]methyl]-3-methyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2-(methylamino)propanamide Openeye Name: (2S)-N-[(1S)-1-cyclohexyl-2-[(2S,3R)-2-[[ethyl(phenethyl)amino]methyl]-3-methyl-pyrrolidin-1-yl]-2-oxo-ethyl]-2-(methylamino)propanamide CAS Name: (2S)-N-[(1S)-1-cyclohexyl-2-[(2S,3R)-2-[[ethyl(phenethyl)amino]methyl]-3-methyl-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)propanamide IUPAC Name: (2S)-N-[(1S)-1-cyclohexyl-2-[(2S,3R)-2-[[ethyl(phenethyl)amino]methyl]-3-methylpyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide Traditional Name: (2S)-N-[(1S)-1-cyclohexyl-2-[(2S,3R)-2-[[ethyl(phenethyl)amino]methyl]-3-methyl-pyrrolidino]-2-keto-ethyl]-2-(methylamino)propionamide Formula: C28H46N4O2 MolecularWeight: 470.69044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=CC=C1)CC2C(CCN2C(=O)C(C3CCCCC3)NC(=O)C(C)NC)C

Isomeric SMILES

CCN(CCC1=CC=CC=C1)C[C@@H]2[C@@H](CCN2C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C

InChI

InChI=1S/C28H46N4O2/c1-5-31(18-17-23-12-8-6-9-13-23)20-25-21(2)16-19-32(25)28(34)26(24-14-10-7-11-15-24)30-27(33)22(3)29-4/h6,8-9,12-13,21-22,24-26,29H,5,7,10-11,14-20H2,1-4H3,(H,30,33)/t21-,22+,25-,26+/m1/s1