(2S)-N-[(2S)-3-(1H-benzimidazol-2-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-2-[[(1R)-1-bis(phenylmethoxy)phosphorylpropyl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-[(2S)-3-(1H-benzimidazol-2-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-2-[[(1R)-1-bis(phenylmethoxy)phosphorylpropyl]amino]-4-methyl-pentanamide Openeye Name: (2S)-N-[(1S)-1-(1H-benzimidazol-2-ylmethyl)-2-(methylamino)-2-oxo-ethyl]-2-[[(1R)-1-dibenzyloxyphosphorylpropyl]amino]-4-methyl-pentanamide CAS Name: (2S)-N-[(2S)-3-(1H-benzimidazol-2-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-[[(1R)-1-bis(phenylmethoxy)phosphorylpropyl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-[(2S)-3-(1H-benzimidazol-2-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-[[(1R)-1-bis(phenylmethoxy)phosphorylpropyl]amino]-4-methylpentanamide Traditional Name: (2S)-N-[(1S)-1-(1H-benzimidazol-2-ylmethyl)-2-keto-2-(methylamino)ethyl]-2-[[(1R)-1-dibenzoxyphosphorylpropyl]amino]-4-methyl-valeramide Formula: C34H44N5O5P MolecularWeight: 633.717421

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(CC(C)C)C(=O)NC(CC1=NC2=CC=CC=C2N1)C(=O)NC)P(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=NC2=CC=CC=C2N1)C(=O)NC)P(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C34H44N5O5P/c1-5-32(45(42,43-22-25-14-8-6-9-15-25)44-23-26-16-10-7-11-17-26)38-29(20-24(2)3)34(41)39-30(33(40)35-4)21-31-36-27-18-12-13-19-28(27)37-31/h6-19,24,29-30,32,38H,5,20-23H2,1-4H3,(H,35,40)(H,36,37)(H,39,41)/t29-,30-,32+/m0/s1