1-[[(2S)-2-[3-[(4-aminophenyl)carbonylamino]-2-oxidanylidene-3-propan-2-yl-pyrrolidin-1-yl]-3-cyclohexyl-propanoyl]amino]propylboronic acid

Systemtic Name: 1-[[(2S)-2-[3-[(4-aminophenyl)carbonylamino]-2-oxidanylidene-3-propan-2-yl-pyrrolidin-1-yl]-3-cyclohexyl-propanoyl]amino]propylboronic acid Openeye Name: 1-[[(2S)-2-[3-[(4-aminobenzoyl)amino]-3-isopropyl-2-oxo-pyrrolidin-1-yl]-3-cyclohexyl-propanoyl]amino]propylboronic acid CAS Name: 1-[[(2S)-2-[3-[[(4-aminophenyl)-oxomethyl]amino]-2-oxo-3-propan-2-yl-1-pyrrolidinyl]-3-cyclohexyl-1-oxopropyl]amino]propylboronic acid IUPAC Name: 1-[[(2S)-2-[3-[(4-aminobenzoyl)amino]-2-oxo-3-propan-2-ylpyrrolidin-1-yl]-3-cyclohexylpropanoyl]amino]propylboronic acid Traditional Name: 1-[[(2S)-2-[3-[(4-aminobenzoyl)amino]-3-isopropyl-2-keto-pyrrolidino]-3-cyclohexyl-propanoyl]amino]propylboronic acid Formula: C26H41BN4O5 MolecularWeight: 500.43854

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC)NC(=O)C(CC1CCCCC1)N2CCC(C2=O)(C(C)C)NC(=O)C3=CC=C(C=C3)N)(O)O

Isomeric SMILES

B(C(CC)NC(=O)[C@H](CC1CCCCC1)N2CCC(C2=O)(C(C)C)NC(=O)C3=CC=C(C=C3)N)(O)O

InChI

InChI=1S/C26H41BN4O5/c1-4-22(27(35)36)29-24(33)21(16-18-8-6-5-7-9-18)31-15-14-26(17(2)3,25(31)34)30-23(32)19-10-12-20(28)13-11-19/h10-13,17-18,21-22,35-36H,4-9,14-16,28H2,1-3H3,(H,29,33)(H,30,32)/t21-,22?,26?/m0/s1