(2S)-N-[(2S)-1-[[(1E,2S)-1-(aminocarbonylhydrazinylidene)-5-[bis(azanyl)methylideneamino]pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-azanyl-4-methyl-pentanamide

Systemtic Name: (2S)-N-[(2S)-1-[[(1E,2S)-1-(aminocarbonylhydrazinylidene)-5-[bis(azanyl)methylideneamino]pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-azanyl-4-methyl-pentanamide Openeye Name: (2S)-2-amino-N-[(1S)-1-benzyl-2-[[(1S)-1-[(E)-(carbamoylhydrazono)methyl]-4-guanidino-butyl]amino]-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: (2S)-2-amino-N-[(2S)-1-[[(1E,2S)-1-(carbamoylhydrazinylidene)-5-(diaminomethylideneamino)pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide IUPAC Name: (2S)-2-amino-N-[(2S)-1-[[(1E,2S)-1-(carbamoylhydrazinylidene)-5-(diaminomethylideneamino)pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide Traditional Name: (2S)-2-amino-N-[(1S)-1-benzyl-2-[[(1S)-4-guanidino-1-[(E)-semicarbazonomethyl]butyl]amino]-2-keto-ethyl]-4-methyl-valeramide Formula: C22H37N9O3 MolecularWeight: 475.58768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C=NNC(=O)N)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)/C=N/NC(=O)N)N

InChI

InChI=1S/C22H37N9O3/c1-14(2)11-17(23)19(32)30-18(12-15-7-4-3-5-8-15)20(33)29-16(13-28-31-22(26)34)9-6-10-27-21(24)25/h3-5,7-8,13-14,16-18H,6,9-12,23H2,1-2H3,(H,29,33)(H,30,32)(H4,24,25,27)(H3,26,31,34)/b28-13+/t16-,17-,18-/m0/s1