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

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(2-cyclobutyl-1H-imidazol-5-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-[[(2S)-2-amino-3-(2-cyclobutyl-1H-imidazol-5-yl)propanoyl]amino]-N-benzyl-5-guanidino-pentanamide CAS Name: (2S)-2-[[(2S)-2-amino-3-(2-cyclobutyl-1H-imidazol-5-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(2-cyclobutyl-1H-imidazol-5-yl)propanoyl]amino]-N-benzyl-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-2-[[(2S)-2-amino-3-(2-cyclobutyl-1H-imidazol-5-yl)propanoyl]amino]-N-benzyl-5-guanidino-valeramide Formula: C23H34N8O2 MolecularWeight: 454.56846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=NC=C(N2)CC(C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=CC=C3)N

Isomeric SMILES

C1CC(C1)C2=NC=C(N2)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC3=CC=CC=C3)N

InChI

InChI=1S/C23H34N8O2/c24-18(12-17-14-28-20(30-17)16-8-4-9-16)21(32)31-19(10-5-11-27-23(25)26)22(33)29-13-15-6-2-1-3-7-15/h1-3,6-7,14,16,18-19H,4-5,8-13,24H2,(H,28,30)(H,29,33)(H,31,32)(H4,25,26,27)/t18-,19-/m0/s1