(phenylmethyl) 2-[[(2S)-5-[[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-(methylamino)pentanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(2S)-5-[[azanyl-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-(methylamino)pentanoyl]amino]ethanoate Openeye Name: benzyl 2-[[(2S)-5-[[amino-(p-tolylsulfonylamino)methylene]amino]-2-(methylamino)pentanoyl]amino]acetate CAS Name: 2-[[(2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-(methylamino)-1-oxopentyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-(methylamino)pentanoyl]amino]acetate Traditional Name: 2-[[(2S)-5-[[amino-(tosylamino)methylene]amino]-2-(methylamino)pentanoyl]amino]acetic acid benzyl ester Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)NCC(=O)OCC2=CC=CC=C2)NC)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](C(=O)NCC(=O)OCC2=CC=CC=C2)NC)N

InChI

InChI=1S/C23H31N5O5S/c1-17-10-12-19(13-11-17)34(31,32)28-23(24)26-14-6-9-20(25-2)22(30)27-15-21(29)33-16-18-7-4-3-5-8-18/h3-5,7-8,10-13,20,25H,6,9,14-16H2,1-2H3,(H,27,30)(H3,24,26,28)/t20-/m0/s1