2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[2-[[4-[2-[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-4-oxidanylidene-butanoyl]oxyethoxy]-4-oxidanylidene-butanoyl]amino]ethanoylamino]phenyl]propyl]-(2-hydroxyethyl)amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[2-[[4-[2-[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-4-oxidanylidene-butanoyl]oxyethoxy]-4-oxidanylidene-butanoyl]amino]ethanoylamino]phenyl]propyl]-(2-hydroxyethyl)amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[[2-[[4-[2-[4-(2,5-dioxopyrrol-1-yl)-4-oxo-butanoyl]oxyethoxy]-4-oxo-butanoyl]amino]acetyl]amino]phenyl]propyl]-(2-hydroxyethyl)amino]acetic acid CAS Name: 2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[[2-[[4-[2-[4-(2,5-dioxo-1-pyrrolyl)-1,4-dioxobutoxy]ethoxy]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]phenyl]propyl]-(2-hydroxyethyl)amino]acetic acid IUPAC Name: 2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[[2-[[4-[2-[4-(2,5-dioxopyrrol-1-yl)-4-oxobutanoyl]oxyethoxy]-4-oxobutanoyl]amino]acetyl]amino]phenyl]propyl]-(2-hydroxyethyl)amino]acetic acid Traditional Name: 2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[[2-[[4-keto-4-[2-(4-keto-4-maleimido-butanoyl)oxyethoxy]butanoyl]amino]acetyl]amino]phenyl]propyl]-(2-hydroxyethyl)amino]acetic acid Formula: C33H41N5O16 MolecularWeight: 763.70254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CN(CCO)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=O)CNC(=O)CCC(=O)OCCOC(=O)CCC(=O)N2C(=O)C=CC2=O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](CN(CCO)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=O)CNC(=O)CCC(=O)OCCOC(=O)CCC(=O)N2C(=O)C=CC2=O

InChI

InChI=1S/C33H41N5O16/c39-12-11-36(18-29(45)46)17-23(37(19-30(47)48)20-31(49)50)15-21-1-3-22(4-2-21)35-25(41)16-34-24(40)5-9-32(51)53-13-14-54-33(52)10-8-28(44)38-26(42)6-7-27(38)43/h1-4,6-7,23,39H,5,8-20H2,(H,34,40)(H,35,41)(H,45,46)(H,47,48)(H,49,50)/t23-/m0/s1