N-[6-azanyl-1-[(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-hexan-2-yl]-8-(2-azanyl-2-oxidanylidene-ethyl)-5-(3-azanyl-3-oxidanylidene-propyl)-3,6,9,13-tetrakis(oxidanylidene)-1-phenyl-1,4,7,10-tetrazacyclotridecane-11-carboxamide

Systemtic Name: N-[6-azanyl-1-[(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-hexan-2-yl]-8-(2-azanyl-2-oxidanylidene-ethyl)-5-(3-azanyl-3-oxidanylidene-propyl)-3,6,9,13-tetrakis(oxidanylidene)-1-phenyl-1,4,7,10-tetrazacyclotridecane-11-carboxamide Openeye Name: N-[5-amino-1-[[2-amino-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pentyl]-8-(2-amino-2-oxo-ethyl)-5-(3-amino-3-oxo-propyl)-3,6,9,13-tetraoxo-1-phenyl-1,4,7,10-tetrazacyclotridecane-11-carboxamide CAS Name: N-[6-amino-1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]-8-(2-amino-2-oxoethyl)-5-(3-amino-3-oxopropyl)-3,6,9,13-tetraoxo-1-phenyl-1,4,7,10-tetrazacyclotridecane-11-carboxamide IUPAC Name: N-[6-amino-1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-1-oxohexan-2-yl]-8-(2-amino-2-oxoethyl)-5-(3-amino-3-oxopropyl)-3,6,9,13-tetraoxo-1-phenyl-1,4,7,10-tetrazacyclotridecane-11-carboxamide Traditional Name: N-[5-amino-1-[(2-amino-2-keto-1-methylol-ethyl)carbamoyl]pentyl]-8-(2-amino-2-keto-ethyl)-5-(3-amino-3-keto-propyl)-3,6,9,13-tetraketo-1-phenyl-1,4,7,10-tetrazacyclotridecane-11-carboxamide Formula: C30H44N10O10 MolecularWeight: 704.73136

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(NC(=O)C(NC(=O)CN(C1=O)C2=CC=CC=C2)CCC(=O)N)CC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)N

Isomeric SMILES

C1C(NC(=O)C(NC(=O)C(NC(=O)CN(C1=O)C2=CC=CC=C2)CCC(=O)N)CC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)N

InChI

InChI=1S/C30H44N10O10/c31-11-5-4-8-17(27(47)39-21(15-41)26(34)46)36-30(50)20-13-25(45)40(16-6-2-1-3-7-16)14-24(44)35-18(9-10-22(32)42)28(48)37-19(12-23(33)43)29(49)38-20/h1-3,6-7,17-21,41H,4-5,8-15,31H2,(H2,32,42)(H2,33,43)(H2,34,46)(H,35,44)(H,36,50)(H,37,48)(H,38,49)(H,39,47)