3-[2-azanylethyl-[3-[2-[bis[3-[2-[bis[3-(2-methylpropylamino)-3-oxidanylidene-propyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-N-[2-[bis[3-[2-[bis[3-(2-methylpropylamino)-3-oxidanylidene-propyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]ethyl]propanamide

Systemtic Name: 3-[2-azanylethyl-[3-[2-[bis[3-[2-[bis[3-(2-methylpropylamino)-3-oxidanylidene-propyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-N-[2-[bis[3-[2-[bis[3-(2-methylpropylamino)-3-oxidanylidene-propyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]ethyl]propanamide Openeye Name: 3-[2-aminoethyl-[3-[2-[bis[3-[2-[bis[3-(isobutylamino)-3-oxo-propyl]amino]ethylamino]-3-oxo-propyl]amino]ethylamino]-3-oxo-propyl]amino]-N-[2-[bis[3-[2-[bis[3-(isobutylamino)-3-oxo-propyl]amino]ethylamino]-3-oxo-propyl]amino]ethyl]propanamide CAS Name: 3-[2-aminoethyl-[3-[2-[bis[3-[2-[bis[3-(2-methylpropylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-[2-[bis[3-(2-methylpropylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]propanamide IUPAC Name: 3-[2-aminoethyl-[3-[2-[bis[3-[2-[bis[3-(2-methylpropylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-[2-[bis[3-(2-methylpropylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]propanamide Traditional Name: 3-[2-aminoethyl-[3-[2-[bis[3-[2-[bis[3-(isobutylamino)-3-keto-propyl]amino]ethylamino]-3-keto-propyl]amino]ethylamino]-3-keto-propyl]amino]-N-[2-[bis[3-[2-[bis[3-(isobutylamino)-3-keto-propyl]amino]ethylamino]-3-keto-propyl]amino]ethyl]propionamide Formula: C88H172N22O14 MolecularWeight: 1762.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CCN(CCC(=O)NCC(C)C)CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCC(C)C)CCC(=O)NCC(C)C)CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCC(C)C)CCC(=O)NCC(C)C)CCC(=O)NCCN(CCC(=O)NCC(C)C)CCC(=O)NCC(C)C)CCN

Isomeric SMILES

CC(C)CNC(=O)CCN(CCC(=O)NCC(C)C)CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCC(C)C)CCC(=O)NCC(C)C)CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCC(C)C)CCC(=O)NCC(C)C)CCC(=O)NCCN(CCC(=O)NCC(C)C)CCC(=O)NCC(C)C)CCN

InChI

InChI=1S/C88H172N22O14/c1-67(2)59-96-81(117)23-44-107(45-24-82(118)97-60-68(3)4)55-34-92-77(113)19-40-105(41-20-78(114)93-35-56-108(46-25-83(119)98-61-69(5)6)47-26-84(120)99-62-70(7)8)53-32-90-75(111)17-38-104(52-31-89)39-18-76(112)91-33-54-106(42-21-79(115)94-36-57-109(48-27-85(121)100-63-71(9)10)49-28-86(122)101-64-72(11)12)43-22-80(116)95-37-58-110(50-29-87(123)102-65-73(13)14)51-30-88(124)103-66-74(15)16/h67-74H,17-66,89H2,1-16H3,(H,90,111)(H,91,112)(H,92,113)(H,93,114)(H,94,115)(H,95,116)(H,96,117)(H,97,118)(H,98,119)(H,99,120)(H,100,121)(H,101,122)(H,102,123)(H,103,124)