(5S,8S,10aR)-N-(diphenylmethyl)-3-ethanoyl-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxidanylidene-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

Systemtic Name: (5S,8S,10aR)-N-(diphenylmethyl)-3-ethanoyl-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxidanylidene-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide Openeye Name: (5S,8S,10aR)-3-acetyl-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide CAS Name: (5S,8S,10aR)-3-acetyl-N-(diphenylmethyl)-5-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide IUPAC Name: (5S,8S,10aR)-3-acetyl-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide Traditional Name: (5S,8S,10aR)-3-acetyl-N-benzhydryl-6-keto-5-[[(2S)-2-(methylamino)propanoyl]amino]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide Formula: C29H37N5O4 MolecularWeight: 519.63518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CN(CCC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C)NC

Isomeric SMILES

C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C)NC

InChI

InChI=1S/C29H37N5O4/c1-19(30-3)27(36)31-24-18-33(20(2)35)17-16-23-14-15-25(34(23)29(24)38)28(37)32-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,19,23-26,30H,14-18H2,1-3H3,(H,31,36)(H,32,37)/t19-,23+,24-,25-/m0/s1