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

Systemtic Name: (2R)-N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]-2-[[(2R)-3-methylsulfanyl-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]pentanamide Openeye Name: (2R)-N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]-5-guanidino-2-[[(2R)-3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanamide CAS Name: (2R)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2R)-3-(methylthio)-1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propyl]amino]pentanamide IUPAC Name: (2R)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2R)-3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanamide Traditional Name: (2R)-N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]-5-guanidino-2-[[(2R)-3-(methylthio)-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]valeramide Formula: C42H50N8O5S MolecularWeight: 778.962

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CSC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C42H50N8O5S/c1-56-27-36(47-37(51)26-30-19-21-32(22-20-30)31-16-9-4-10-17-31)41(55)48-33(18-11-23-46-42(44)45)39(53)50-35(25-29-14-7-3-8-15-29)40(54)49-34(38(43)52)24-28-12-5-2-6-13-28/h2-10,12-17,19-22,33-36H,11,18,23-27H2,1H3,(H2,43,52)(H,47,51)(H,48,55)(H,49,54)(H,50,53)(H4,44,45,46)/t33-,34+,35+,36+/m1/s1