ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-methylpentan-2-ylamino)-5-phenylazanyl-phenyl]sulfanyl-propanoate

Systemtic Name: ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-methylpentan-2-ylamino)-5-phenylazanyl-phenyl]sulfanyl-propanoate Openeye Name: ethyl 3-[5-anilino-2-(1,3-dimethylbutylamino)phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate CAS Name: 3-[[5-anilino-2-(4-methylpentan-2-ylamino)phenyl]thio]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-anilino-2-(4-methylpentan-2-ylamino)phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate Traditional Name: 3-[[5-anilino-2-(1,3-dimethylbutylamino)phenyl]thio]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid ethyl ester Formula: C38H43N3O4S MolecularWeight: 637.83072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=C(C=CC(=C1)NC2=CC=CC=C2)NC(C)CC(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CCOC(=O)C(CSC1=C(C=CC(=C1)NC2=CC=CC=C2)NC(C)CC(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C38H43N3O4S/c1-5-44-37(42)35(41-38(43)45-23-33-31-17-11-9-15-29(31)30-16-10-12-18-32(30)33)24-46-36-22-28(40-27-13-7-6-8-14-27)19-20-34(36)39-26(4)21-25(2)3/h6-20,22,25-26,33,35,39-40H,5,21,23-24H2,1-4H3,(H,41,43)