3-methyl-2-[[2-[methyl-[3-sulfanyl-2-[(triphenylmethyl)amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-[[2-[methyl-[3-sulfanyl-2-[(triphenylmethyl)amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-butanoic acid Openeye Name: 3-methyl-2-[[2-[methyl-[3-sulfanyl-2-(tritylamino)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-2-[[2-[[3-mercapto-1-oxo-2-[(triphenylmethyl)amino]propyl]-methylamino]-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid IUPAC Name: 3-methyl-2-[[2-[methyl-[3-sulfanyl-2-(tritylamino)propanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-2-[[2-[[3-mercapto-2-(tritylamino)propanoyl]-methyl-amino]-3-phenyl-propanoyl]amino]-3-methyl-butyric acid Formula: C37H41N3O4S2 MolecularWeight: 655.86914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N(C)C(=O)C(CS)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N(C)C(=O)C(CS)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S

InChI

InChI=1S/C37H41N3O4S2/c1-36(2,46)32(35(43)44)38-33(41)31(24-26-16-8-4-9-17-26)40(3)34(42)30(25-45)39-37(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-23,30-32,39,45-46H,24-25H2,1-3H3,(H,38,41)(H,43,44)