2-[[2-[2-[[3-methylsulfanyl-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanamide

Systemtic Name: 2-[[2-[2-[[3-methylsulfanyl-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanamide Openeye Name: 2-[[2-[[2-[[3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanamide CAS Name: 2-[[2-[[2-[[3-(methylthio)-1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanamide IUPAC Name: 2-[[2-[[2-[[3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanamide Traditional Name: 2-[[2-[[2-[[3-(methylthio)-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionamide Formula: C38H41N5O5S MolecularWeight: 679.82764

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)NCC(=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

CSCC(C(=O)NCC(=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

InChI

InChI=1S/C38H41N5O5S/c1-49-25-33(42-34(44)23-28-17-19-30(20-18-28)29-15-9-4-10-16-29)37(47)40-24-35(45)41-32(22-27-13-7-3-8-14-27)38(48)43-31(36(39)46)21-26-11-5-2-6-12-26/h2-20,31-33H,21-25H2,1H3,(H2,39,46)(H,40,47)(H,41,45)(H,42,44)(H,43,48)