(2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]-2-(2-phenylethanoylamino)pentanamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]-2-(2-phenylethanoylamino)pentanamide Openeye Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-5-guanidino-2-[(2-phenylacetyl)amino]pentanamide CAS Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(1-oxo-2-phenylethyl)amino]pentanamide IUPAC Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanamide Traditional Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-5-guanidino-2-[(2-phenylacetyl)amino]valeramide Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H30N6O3/c24-21(31)19(14-16-8-3-1-4-9-16)29-22(32)18(12-7-13-27-23(25)26)28-20(30)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H2,24,31)(H,28,30)(H,29,32)(H4,25,26,27)/t18-,19-/m0/s1