3-(2-azanyloxyethanoylamino)-2-[[8-[[5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-3-oxidanylidene-pentyl]amino]-4-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propanoylamino]-3-oxidanylidene-octyl]amino]propanamide

Systemtic Name: 3-(2-azanyloxyethanoylamino)-2-[[8-[[5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-3-oxidanylidene-pentyl]amino]-4-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propanoylamino]-3-oxidanylidene-octyl]amino]propanamide Openeye Name: 3-[(2-aminooxyacetyl)amino]-2-[[8-[[5-(2,5-dioxopyrrol-1-yl)-3-oxo-pentyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-oxo-octyl]amino]propanamide CAS Name: 3-[(2-aminooxy-1-oxoethyl)amino]-2-[[8-[[5-(2,5-dioxo-1-pyrrolyl)-3-oxopentyl]amino]-4-[[3-(2,5-dioxo-1-pyrrolyl)-1-oxopropyl]amino]-3-oxooctyl]amino]propanamide IUPAC Name: 3-[(2-aminooxyacetyl)amino]-2-[[8-[[5-(2,5-dioxopyrrol-1-yl)-3-oxopentyl]amino]-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-3-oxooctyl]amino]propanamide Traditional Name: 3-[(2-aminooxyacetyl)amino]-2-[[3-keto-8-[(3-keto-5-maleimido-pentyl)amino]-4-(3-maleimidopropanoylamino)octyl]amino]propionamide Formula: C29H42N8O10 MolecularWeight: 662.69138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)N(C1=O)CCC(=O)CCNCCCCC(C(=O)CCNC(CNC(=O)CON)C(=O)N)NC(=O)CCN2C(=O)C=CC2=O

Isomeric SMILES

C1=CC(=O)N(C1=O)CCC(=O)CCNCCCCC(C(=O)CCNC(CNC(=O)CON)C(=O)N)NC(=O)CCN2C(=O)C=CC2=O

InChI

InChI=1S/C29H42N8O10/c30-29(46)21(17-34-24(41)18-47-31)33-14-9-22(39)20(35-23(40)11-16-37-27(44)6-7-28(37)45)3-1-2-12-32-13-8-19(38)10-15-36-25(42)4-5-26(36)43/h4-7,20-21,32-33H,1-3,8-18,31H2,(H2,30,46)(H,34,41)(H,35,40)