2-(aminomethyl)-N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-phenethyl-4-phenyl-butanamide

Systemtic Name: 2-(aminomethyl)-N-[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-phenethyl-4-phenyl-butanamide Openeye Name: 2-(aminomethyl)-N-[(1S)-1-carbamoyl-4-guanidino-butyl]-2-phenethyl-4-phenyl-butanamide CAS Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(aminomethyl)-2-phenethyl-4-phenylbutanamide IUPAC Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(aminomethyl)-2-phenethyl-4-phenylbutanamide Traditional Name: 2-(aminomethyl)-N-[(1S)-1-carbamoyl-4-guanidino-butyl]-2-phenethyl-4-phenyl-butyramide Formula: C25H36N6O2 MolecularWeight: 452.59234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CCC2=CC=CC=C2)(CN)C(=O)NC(CCCN=C(N)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(CCC2=CC=CC=C2)(CN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N

InChI

InChI=1S/C25H36N6O2/c26-18-25(15-13-19-8-3-1-4-9-19,16-14-20-10-5-2-6-11-20)23(33)31-21(22(27)32)12-7-17-30-24(28)29/h1-6,8-11,21H,7,12-18,26H2,(H2,27,32)(H,31,33)(H4,28,29,30)/t21-/m0/s1