(2S)-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)-5-[(phenylmethylidene)amino]pentanoyl]amino]-5-[(phenylmethylidene)amino]pentanoyl]amino]-5-[(phenylmethylidene)amino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)-5-[(phenylmethylidene)amino]pentanoyl]amino]-5-[(phenylmethylidene)amino]pentanoyl]amino]-5-[(phenylmethylidene)amino]pentanoic acid Openeye Name: (2S)-5-(benzylideneamino)-2-[[(2S)-5-(benzylideneamino)-2-[[(2S)-5-(benzylideneamino)-2-(benzyloxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid CAS Name: (2S)-2-[[(2S)-1-oxo-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)-5-[(phenylmethylene)amino]pentyl]amino]-5-[(phenylmethylene)amino]pentyl]amino]-5-[(phenylmethylene)amino]pentanoic acid IUPAC Name: (2S)-5-(benzylideneamino)-2-[[(2S)-5-(benzylideneamino)-2-[[(2S)-5-(benzylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid Traditional Name: (2S)-5-(benzalamino)-2-[[(2S)-5-(benzalamino)-2-[[(2S)-5-(benzalamino)-2-(benzyloxycarbonylamino)pentanoyl]amino]pentanoyl]amino]valeric acid Formula: C44H50N6O6 MolecularWeight: 758.9044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCN=CC2=CC=CC=C2)C(=O)NC(CCCN=CC3=CC=CC=C3)C(=O)NC(CCCN=CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCN=CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=CC3=CC=CC=C3)C(=O)N[C@@H](CCCN=CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C44H50N6O6/c51-41(49-40(43(53)54)26-15-29-47-32-36-20-9-3-10-21-36)38(24-13-27-45-30-34-16-5-1-6-17-34)48-42(52)39(25-14-28-46-31-35-18-7-2-8-19-35)50-44(55)56-33-37-22-11-4-12-23-37/h1-12,16-23,30-32,38-40H,13-15,24-29,33H2,(H,48,52)(H,49,51)(H,50,55)(H,53,54)/t38-,39-,40-/m0/s1