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

Systemtic Name: ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(octan-2-ylamino)-5-phenylazanyl-phenyl]sulfanyl-propanoate Openeye Name: ethyl 3-[5-anilino-2-(1-methylheptylamino)phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate CAS Name: 3-[[5-anilino-2-(octan-2-ylamino)phenyl]thio]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-anilino-2-(octan-2-ylamino)phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate Traditional Name: 3-[[5-anilino-2-(1-methylheptylamino)phenyl]thio]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid ethyl ester Formula: C40H47N3O4S MolecularWeight: 665.88388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCC(C(=O)OCC)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CCCCCCC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCC(C(=O)OCC)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C40H47N3O4S/c1-4-6-7-9-16-28(3)41-36-24-23-30(42-29-17-10-8-11-18-29)25-38(36)48-27-37(39(44)46-5-2)43-40(45)47-26-35-33-21-14-12-19-31(33)32-20-13-15-22-34(32)35/h8,10-15,17-25,28,35,37,41-42H,4-7,9,16,26-27H2,1-3H3,(H,43,45)