3-azanyl-4-[[5-methoxycarbonyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[5-methoxycarbonyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[(5-methoxycarbonyl-2,7-dioxo-1,6-diazacyclododec-8-yl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(5-methoxycarbonyl-2,7-dioxo-1,6-diazacyclododec-8-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(5-methoxycarbonyl-2,7-dioxo-1,6-diazacyclododec-8-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[(5-carbomethoxy-2,7-diketo-1,6-diazacyclododec-8-yl)amino]-4-keto-butyric acid Formula: C16H26N4O7 MolecularWeight: 386.40024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=O)NCCCCC(C(=O)N1)NC(=O)C(CC(=O)O)N

Isomeric SMILES

COC(=O)C1CCC(=O)NCCCCC(C(=O)N1)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C16H26N4O7/c1-27-16(26)11-5-6-12(21)18-7-3-2-4-10(15(25)20-11)19-14(24)9(17)8-13(22)23/h9-11H,2-8,17H2,1H3,(H,18,21)(H,19,24)(H,20,25)(H,22,23)