methyl (3S)-4-[(2S)-2-[[(2S)-1-[1-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidin-3-yl]-3-oxidanyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-3-(2-propylpentanoylamino)butanoate

Systemtic Name: methyl (3S)-4-[(2S)-2-[[(2S)-1-[1-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidin-3-yl]-3-oxidanyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-3-(2-propylpentanoylamino)butanoate Openeye Name: methyl (3S)-4-[(2S)-2-[[(1S)-1-[[1-[(E)-N,N'-bis(benzyloxycarbonyl)carbamimidoyl]-3-piperidyl]methyl]-2-hydroxy-ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(2-propylpentanoylamino)butanoate CAS Name: (3S)-4-[(2S)-2-[[[(2S)-1-hydroxy-3-[1-[(E)-phenylmethoxycarbonylamino(phenylmethoxycarbonylimino)methyl]-3-piperidinyl]propan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-oxo-3-[(1-oxo-2-propylpentyl)amino]butanoic acid methyl ester IUPAC Name: methyl (3S)-4-[(2S)-2-[[(2S)-1-[1-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidin-3-yl]-3-hydroxypropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-(2-propylpentanoylamino)butanoate Traditional Name: (3S)-4-[(2S)-2-[[(1S)-1-[[1-[(E)-N,N'-dicarbobenzoxyamidino]-3-piperidyl]methyl]-2-hydroxy-ethyl]carbamoyl]pyrrolidino]-4-keto-3-(2-propylpentanoylamino)butyric acid methyl ester Formula: C43H60N6O10 MolecularWeight: 820.9707

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC(CC(=O)OC)C(=O)N1CCCC1C(=O)NC(CC2CCCN(C2)C(=NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)CO

Isomeric SMILES

CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2CCCN(C2)/C(=N/C(=O)OCC3=CC=CC=C3)/NC(=O)OCC4=CC=CC=C4)CO

InChI

InChI=1S/C43H60N6O10/c1-4-14-33(15-5-2)38(52)45-35(25-37(51)57-3)40(54)49-23-13-21-36(49)39(53)44-34(27-50)24-32-20-12-22-48(26-32)41(46-42(55)58-28-30-16-8-6-9-17-30)47-43(56)59-29-31-18-10-7-11-19-31/h6-11,16-19,32-36,50H,4-5,12-15,20-29H2,1-3H3,(H,44,53)(H,45,52)(H,46,47,55,56)/t32?,34-,35-,36-/m0/s1