(2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]-2-[(2-methoxy-4-methyl-phenyl)sulfonylamino]pentanamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]-2-[(2-methoxy-4-methyl-phenyl)sulfonylamino]pentanamide Openeye Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-5-guanidino-2-[(2-methoxy-4-methyl-phenyl)sulfonylamino]pentanamide CAS Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(2-methoxy-4-methylphenyl)sulfonylamino]pentanamide IUPAC Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(2-methoxy-4-methylphenyl)sulfonylamino]pentanamide Traditional Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-5-guanidino-2-[(2-methoxy-4-methyl-phenyl)sulfonylamino]valeramide Formula: C23H32N6O5S MolecularWeight: 504.60238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)N)OC

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)OC

InChI

InChI=1S/C23H32N6O5S/c1-15-10-11-20(19(13-15)34-2)35(32,33)29-17(9-6-12-27-23(25)26)22(31)28-18(21(24)30)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,17-18,29H,6,9,12,14H2,1-2H3,(H2,24,30)(H,28,31)(H4,25,26,27)/t17-,18-/m0/s1