(2S)-2-[[(2S)-2-azanyl-3-(2-tert-butyl-1H-imidazol-5-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-(phenylmethyl)pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(2-tert-butyl-1H-imidazol-5-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-[[(2S)-2-amino-3-(2-tert-butyl-1H-imidazol-5-yl)propanoyl]amino]-N-benzyl-5-guanidino-pentanamide CAS Name: (2S)-2-[[(2S)-2-amino-3-(2-tert-butyl-1H-imidazol-5-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(2-tert-butyl-1H-imidazol-5-yl)propanoyl]amino]-N-benzyl-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-2-[[(2S)-2-amino-3-(2-tert-butyl-1H-imidazol-5-yl)propanoyl]amino]-N-benzyl-5-guanidino-valeramide Formula: C23H36N8O2 MolecularWeight: 456.58434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=C(N1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)C1=NC=C(N1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC2=CC=CC=C2)N

InChI

InChI=1S/C23H36N8O2/c1-23(2,3)21-29-14-16(30-21)12-17(24)19(32)31-18(10-7-11-27-22(25)26)20(33)28-13-15-8-5-4-6-9-15/h4-6,8-9,14,17-18H,7,10-13,24H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)(H4,25,26,27)/t17-,18-/m0/s1