1-[5-[[6-azanyl-2-(cyclobutylcarbonylamino)hexanoyl]amino]-4-oxidanylidene-6-phenyl-hexanoyl]-4-tritio-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-[[6-azanyl-2-(cyclobutylcarbonylamino)hexanoyl]amino]-4-oxidanylidene-6-phenyl-hexanoyl]-4-tritio-pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-[[6-amino-2-(cyclobutanecarbonylamino)hexanoyl]amino]-4-oxo-6-phenyl-hexanoyl]-4-tritio-pyrrolidine-2-carboxylic acid CAS Name: 1-[5-[[6-amino-2-[[cyclobutyl(oxo)methyl]amino]-1-oxohexyl]amino]-1,4-dioxo-6-phenylhexyl]-4-tritio-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-[[6-amino-2-(cyclobutanecarbonylamino)hexanoyl]amino]-4-oxo-6-phenylhexanoyl]-4-tritiopyrrolidine-2-carboxylic acid Traditional Name: 1-[5-[[6-amino-2-(cyclobutanecarbonylamino)hexanoyl]amino]-4-keto-6-phenyl-hexanoyl]-4-tritio-proline Formula: C28H40N4O6 MolecularWeight: 530.648509

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)CCC(=O)N3CCCC3C(=O)O

Isomeric SMILES

[3H]C1CC(N(C1)C(=O)CCC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C3CCC3)C(=O)O

InChI

InChI=1S/C28H40N4O6/c29-16-5-4-12-21(30-26(35)20-10-6-11-20)27(36)31-22(18-19-8-2-1-3-9-19)24(33)14-15-25(34)32-17-7-13-23(32)28(37)38/h1-3,8-9,20-23H,4-7,10-18,29H2,(H,30,35)(H,31,36)(H,37,38)/i7T