(2S)-1-[(2R)-2-azanyl-3-cyclohexyl-propanoyl]-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-pyridin-1-ium-1-yl-pentan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-azanyl-3-cyclohexyl-propanoyl]-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-pyridin-1-ium-1-yl-pentan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-amino-3-cyclohexyl-propanoyl]-N-[(1S)-4-guanidino-1-(pyridin-1-ium-1-carbonyl)butyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-amino-3-cyclohexyl-1-oxopropyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1-pyridin-1-iumyl)pentan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-pyridin-1-ium-1-ylpentan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R)-2-amino-3-cyclohexyl-propanoyl]-N-[(1S)-4-guanidino-1-(pyridin-1-ium-1-carbonyl)butyl]pyrrolidine-2-carboxamide Formula: C25H40N7O3+ MolecularWeight: 486.6302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)[N+]3=CC=CC=C3)N

Isomeric SMILES

C1CCC(CC1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)[N+]3=CC=CC=C3)N

InChI

InChI=1S/C25H39N7O3/c26-19(17-18-9-3-1-4-10-18)23(34)32-16-8-12-21(32)22(33)30-20(11-7-13-29-25(27)28)24(35)31-14-5-2-6-15-31/h2,5-6,14-15,18-21H,1,3-4,7-13,16-17,26H2,(H4-,27,28,29,30,33)/p+1/t19-,20+,21+/m1/s1