tris[[(2S)-2-(2-methylpropoxycarbonylamino)-3-phenyl-propanoyl]oxy]boranuide

Systemtic Name: tris[[(2S)-2-(2-methylpropoxycarbonylamino)-3-phenyl-propanoyl]oxy]boranuide Openeye Name: tris[[(2S)-2-(isobutoxycarbonylamino)-3-phenyl-propanoyl]oxy]boranuide CAS Name: tris[(2S)-2-[[2-methylpropoxy(oxo)methyl]amino]-1-oxo-3-phenylpropoxy]boranuide IUPAC Name: tris[[(2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoyl]oxy]boranuide Traditional Name: tris[[(2S)-2-(isobutoxycarbonylamino)-3-phenyl-propanoyl]oxy]boranuide Formula: C42H55BN3O12- MolecularWeight: 804.71

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Descriptors Computed from Structure

Canonical SMILES:

[BH-](OC(=O)C(CC1=CC=CC=C1)NC(=O)OCC(C)C)(OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC(C)C)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC(C)C

Isomeric SMILES

[BH-](OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC(C)C)(OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC(C)C)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC(C)C

InChI

InChI=1S/C42H55BN3O12/c1-28(2)25-53-40(50)44-34(22-31-16-10-7-11-17-31)37(47)56-43(57-38(48)35(23-32-18-12-8-13-19-32)45-41(51)54-26-29(3)4)58-39(49)36(24-33-20-14-9-15-21-33)46-42(52)55-27-30(5)6/h7-21,28-30,34-36,43H,22-27H2,1-6H3,(H,44,50)(H,45,51)(H,46,52)/q-1/t34-,35-,36-/m0/s1