2-[[5-[bis(azanyl)methylideneamino]-2-[[3-methylsulfanyl-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]pentanoyl]amino]-4-methyl-N-phenethyl-pentanamide

Systemtic Name: 2-[[5-[bis(azanyl)methylideneamino]-2-[[3-methylsulfanyl-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]pentanoyl]amino]-4-methyl-N-phenethyl-pentanamide Openeye Name: 2-[[5-guanidino-2-[[3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanoyl]amino]-4-methyl-N-phenethyl-pentanamide CAS Name: 2-[[5-(diaminomethylideneamino)-2-[[3-(methylthio)-1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propyl]amino]-1-oxopentyl]amino]-4-methyl-N-phenethylpentanamide IUPAC Name: 2-[[5-(diaminomethylideneamino)-2-[[3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanoyl]amino]-4-methyl-N-phenethylpentanamide Traditional Name: 2-[[5-guanidino-2-[[3-(methylthio)-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanoyl]amino]-4-methyl-N-phenethyl-valeramide Formula: C38H51N7O4S MolecularWeight: 701.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CSC)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CSC)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C38H51N7O4S/c1-26(2)23-32(35(47)41-22-20-27-11-6-4-7-12-27)45-36(48)31(15-10-21-42-38(39)40)44-37(49)33(25-50-3)43-34(46)24-28-16-18-30(19-17-28)29-13-8-5-9-14-29/h4-9,11-14,16-19,26,31-33H,10,15,20-25H2,1-3H3,(H,41,47)(H,43,46)(H,44,49)(H,45,48)(H4,39,40,42)