(2S)-4-azanyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]-2-[2-[(1-propan-2-ylindol-5-yl)carbamoylamino]ethanoylamino]butanamide

Systemtic Name: (2S)-4-azanyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]-2-[2-[(1-propan-2-ylindol-5-yl)carbamoylamino]ethanoylamino]butanamide Openeye Name: (2S)-4-amino-N-[(1S)-1-benzyl-2-(benzylamino)-2-oxo-ethyl]-2-[[2-[(1-isopropylindol-5-yl)carbamoylamino]acetyl]amino]butanamide CAS Name: (2S)-4-amino-2-[[1-oxo-2-[[oxo-[(1-propan-2-yl-5-indolyl)amino]methyl]amino]ethyl]amino]-N-[(2S)-1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]butanamide IUPAC Name: (2S)-4-amino-N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-2-[[2-[(1-propan-2-ylindol-5-yl)carbamoylamino]acetyl]amino]butanamide Traditional Name: (2S)-4-amino-N-[(1S)-1-benzyl-2-(benzylamino)-2-keto-ethyl]-2-[[2-[(1-isopropylindol-5-yl)carbamoylamino]acetyl]amino]butyramide Formula: C34H41N7O4 MolecularWeight: 611.73384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC2=C1C=CC(=C2)NC(=O)NCC(=O)NC(CCN)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=CC2=C1C=CC(=C2)NC(=O)NCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C34H41N7O4/c1-23(2)41-18-16-26-20-27(13-14-30(26)41)38-34(45)37-22-31(42)39-28(15-17-35)33(44)40-29(19-24-9-5-3-6-10-24)32(43)36-21-25-11-7-4-8-12-25/h3-14,16,18,20,23,28-29H,15,17,19,21-22,35H2,1-2H3,(H,36,43)(H,39,42)(H,40,44)(H2,37,38,45)/t28-,29-/m0/s1