tert-butyl (2S)-2-[methyl-[(2S)-2-(phenylmethoxycarbonylamino)-5-[phenylmethoxycarbonyl-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]pentanoyl]amino]hexanoate

Systemtic Name: tert-butyl (2S)-2-[methyl-[(2S)-2-(phenylmethoxycarbonylamino)-5-[phenylmethoxycarbonyl-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]pentanoyl]amino]hexanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-5-[benzyloxycarbonyl-[(Z)-N'-benzyloxycarbonylcarbamimidoyl]amino]pentanoyl]-methyl-amino]hexanoate CAS Name: (2S)-2-[[(2S)-5-[[(Z)-amino(phenylmethoxycarbonylimino)methyl]-phenylmethoxycarbonylamino]-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]-methylamino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[methyl-[(2S)-2-(phenylmethoxycarbonylamino)-5-[phenylmethoxycarbonyl-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]pentanoyl]amino]hexanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-5-[carbobenzoxy-[(Z)-N'-carbobenzoxyamidino]amino]pentanoyl]-methyl-amino]hexanoic acid tert-butyl ester Formula: C41H53N5O9 MolecularWeight: 759.88762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)N(C)C(=O)C(CCCN(C(=NC(=O)OCC1=CC=CC=C1)N)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@H](CCCN(/C(=N\C(=O)OCC1=CC=CC=C1)/N)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C41H53N5O9/c1-6-7-25-34(36(48)55-41(2,3)4)45(5)35(47)33(43-38(49)52-27-30-18-11-8-12-19-30)24-17-26-46(40(51)54-29-32-22-15-10-16-23-32)37(42)44-39(50)53-28-31-20-13-9-14-21-31/h8-16,18-23,33-34H,6-7,17,24-29H2,1-5H3,(H,43,49)(H2,42,44,50)/t33-,34-/m0/s1