3-[6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]-5-methyl-2-oxidanylidene-1H-pyrazin-3-yl]propanoic acid

Systemtic Name: 3-[6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]-5-methyl-2-oxidanylidene-1H-pyrazin-3-yl]propanoic acid Openeye Name: 3-[6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]propanoic acid CAS Name: 3-[6-[4-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]propanoic acid IUPAC Name: 3-[6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]propanoic acid Traditional Name: 3-[6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]-2-keto-5-methyl-1H-pyrazin-3-yl]propionic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=N1)CCC(=O)O)CCCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC1=C(NC(=O)C(=N1)CCC(=O)O)CCCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C27H29N3O5/c1-17-23(30-26(33)24(29-17)13-14-25(31)32)12-6-7-15-28-27(34)35-16-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-5,8-11,22H,6-7,12-16H2,1H3,(H,28,34)(H,30,33)(H,31,32)