N-[(2S)-1-azido-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-(naphthalen-1-ylmethyl)-N'-phenethyl-butanediamide

Systemtic Name: N-[(2S)-1-azido-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-(naphthalen-1-ylmethyl)-N'-phenethyl-butanediamide Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthylmethyl)-4-oxo-4-(phenethylamino)butanoyl]amino]propanoyl azide CAS Name: N-[(2S)-1-azido-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(1-naphthalenylmethyl)-N'-phenethylbutanediamide IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[[2-(naphthalen-1-ylmethyl)-4-oxo-4-(phenethylamino)butanoyl]amino]propanoyl azide Traditional Name: N-[(1S)-2-azido-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-2-(1-naphthylmethyl)-N'-phenethyl-succinamide Formula: C29H29N7O3 MolecularWeight: 523.58566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CC(CC2=CC=CC3=CC=CC=C32)C(=O)NC(CC4=CN=CN4)C(=O)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CC(CC2=CC=CC3=CC=CC=C32)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C29H29N7O3/c30-36-35-29(39)26(17-24-18-31-19-33-24)34-28(38)23(15-22-11-6-10-21-9-4-5-12-25(21)22)16-27(37)32-14-13-20-7-2-1-3-8-20/h1-12,18-19,23,26H,13-17H2,(H,31,33)(H,32,37)(H,34,38)/t23?,26-/m0/s1