[1-[(2S)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]carbamoyl]pyrrolidin-1-yl]-4-[bis(azanyl)methylideneamino]butyl]boronic acid

Systemtic Name: [1-[(2S)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]carbamoyl]pyrrolidin-1-yl]-4-[bis(azanyl)methylideneamino]butyl]boronic acid Openeye Name: [1-[(2S)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]carbamoyl]pyrrolidin-1-yl]-4-guanidino-butyl]boronic acid CAS Name: [1-[(2S)-2-[[[(2R)-2-acetamido-1-oxo-3-phenylpropyl]amino]-oxomethyl]-1-pyrrolidinyl]-4-(diaminomethylideneamino)butyl]boronic acid IUPAC Name: [1-[(2S)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]carbamoyl]pyrrolidin-1-yl]-4-(diaminomethylideneamino)butyl]boronic acid Traditional Name: [1-[(2S)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]carbamoyl]pyrrolidino]-4-guanidino-butyl]boronic acid Formula: C21H33BN6O5 MolecularWeight: 460.33492

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CCCN=C(N)N)N1CCCC1C(=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C)(O)O

Isomeric SMILES

B(C(CCCN=C(N)N)N1CCC[C@H]1C(=O)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C)(O)O

InChI

InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)19(30)27-20(31)17-9-6-12-28(17)18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H4,23,24,25)(H,27,30,31)/t16-,17+,18?/m1/s1