3-[7-(5-azanyl-5-azanylidene-pentoxy)-1-cyclohexyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-[7-(5-azanyl-5-azanylidene-pentoxy)-1-cyclohexyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[7-(5-amino-5-imino-pentoxy)-1-cyclohexyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[7-(5-amino-5-iminopentoxy)-1-cyclohexyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[7-(5-amino-5-iminopentoxy)-1-cyclohexyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[7-(5-amino-5-imino-pentoxy)-1-cyclohexyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)CN(C(=O)C3=C2C=CC(=C3)OCCCCC(=N)N)CCC(=O)O

Isomeric SMILES

C1CCC(CC1)N2C(=O)CN(C(=O)C3=C2C=CC(=C3)OCCCCC(=N)N)CCC(=O)O

InChI

InChI=1S/C23H32N4O5/c24-20(25)8-4-5-13-32-17-9-10-19-18(14-17)23(31)26(12-11-22(29)30)15-21(28)27(19)16-6-2-1-3-7-16/h9-10,14,16H,1-8,11-13,15H2,(H3,24,25)(H,29,30)