2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-5-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-5-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C28H37N5O13 MolecularWeight: 651.61908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C28H37N5O13/c34-22(30-20(27(43)44)11-17-12-29-19-4-2-1-3-18(17)19)6-5-21(28(45)46)33(9-7-31(13-23(35)36)14-24(37)38)10-8-32(15-25(39)40)16-26(41)42/h1-4,12,20-21,29H,5-11,13-16H2,(H,30,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)