tert-butyl (2S)-2-[[(2S)-2-[2-[2-(4-carbamimidoylphenyl)ethanoylamino]ethanoylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-[2-[2-(4-carbamimidoylphenyl)ethanoylamino]ethanoylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-4-tert-butoxy-2-[[2-[[2-(4-carbamimidoylphenyl)acetyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[2-[[2-(4-carbamimidoylphenyl)-1-oxoethyl]amino]-1-oxoethyl]amino]-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[[2-[[2-(4-carbamimidoylphenyl)acetyl]amino]acetyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[[2-[[2-(4-amidinophenyl)acetyl]amino]acetyl]amino]-4-tert-butoxy-4-keto-butanoyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C28H43N5O7 MolecularWeight: 561.67032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)CNC(=O)CC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)CNC(=O)CC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C28H43N5O7/c1-16(2)23(26(38)40-28(6,7)8)33-25(37)19(14-22(36)39-27(3,4)5)32-21(35)15-31-20(34)13-17-9-11-18(12-10-17)24(29)30/h9-12,16,19,23H,13-15H2,1-8H3,(H3,29,30)(H,31,34)(H,32,35)(H,33,37)/t19-,23-/m0/s1