(2R)-5-[bis(azanyl)methylideneamino]-N-[1-oxidanylidene-1-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]-2-[2-[2-(4-phenylphenyl)ethanoylamino]pentanoylamino]pentanamide

Systemtic Name: (2R)-5-[bis(azanyl)methylideneamino]-N-[1-oxidanylidene-1-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]amino]-3-phenyl-propan-2-yl]-2-[2-[2-(4-phenylphenyl)ethanoylamino]pentanoylamino]pentanamide Openeye Name: (2R)-N-[1-benzyl-2-[[1-benzyl-2-oxo-2-(phenethylamino)ethyl]amino]-2-oxo-ethyl]-5-guanidino-2-[2-[[2-(4-phenylphenyl)acetyl]amino]pentanoylamino]pentanamide CAS Name: (2R)-5-(diaminomethylideneamino)-N-[1-oxo-1-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]-2-[[1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]pentyl]amino]pentanamide IUPAC Name: (2R)-5-(diaminomethylideneamino)-N-[1-oxo-1-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]-2-[2-[[2-(4-phenylphenyl)acetyl]amino]pentanoylamino]pentanamide Traditional Name: (2R)-N-[1-benzyl-2-[[1-benzyl-2-keto-2-(phenethylamino)ethyl]amino]-2-keto-ethyl]-5-guanidino-2-[2-[[2-(4-phenylphenyl)acetyl]amino]pentanoylamino]valeramide Formula: C51H60N8O5 MolecularWeight: 865.0727

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC(C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C51H60N8O5/c1-2-16-42(56-46(60)35-39-26-28-41(29-27-39)40-23-13-6-14-24-40)48(62)57-43(25-15-31-55-51(52)53)49(63)59-45(34-38-21-11-5-12-22-38)50(64)58-44(33-37-19-9-4-10-20-37)47(61)54-32-30-36-17-7-3-8-18-36/h3-14,17-24,26-29,42-45H,2,15-16,25,30-35H2,1H3,(H,54,61)(H,56,60)(H,57,62)(H,58,64)(H,59,63)(H4,52,53,55)/t42?,43-,44?,45?/m1/s1