(phenylmethyl) 2-[[(2S)-2-[[(2S)-2-azanyl-5-[[azanyl-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(2S)-2-[[(2S)-2-azanyl-5-[[azanyl-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]ethanoate Openeye Name: benzyl 2-[[(2S)-2-[[(2S)-2-amino-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylene]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[[(2S)-2-amino-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2S)-2-[[(2S)-2-amino-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]pentanoyl]amino]-3-methylbutanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[[(2S)-2-amino-5-[[amino-(mesitylsulfonylamino)methylene]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]acetic acid benzyl ester Formula: C29H42N6O6S MolecularWeight: 602.74538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N6O6S/c1-18(2)25(28(38)33-16-24(36)41-17-22-10-7-6-8-11-22)34-27(37)23(30)12-9-13-32-29(31)35-42(39,40)26-20(4)14-19(3)15-21(26)5/h6-8,10-11,14-15,18,23,25H,9,12-13,16-17,30H2,1-5H3,(H,33,38)(H,34,37)(H3,31,32,35)/t23-,25-/m0/s1