5-[[3-[(2-aminocarbonyl-1H-indol-5-yl)oxymethyl]phenyl]amino]-4-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-[(2-aminocarbonyl-1H-indol-5-yl)oxymethyl]phenyl]amino]-4-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[3-[(2-carbamoyl-1H-indol-5-yl)oxymethyl]anilino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[3-[(2-carbamoyl-1H-indol-5-yl)oxymethyl]anilino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[3-[(2-carbamoyl-1H-indol-5-yl)oxymethyl]anilino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[3-[(2-carbamoyl-1H-indol-5-yl)oxymethyl]anilino]-5-keto-valeric acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(CCC(=O)O)N)COC2=CC3=C(C=C2)NC(=C3)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(CCC(=O)O)N)COC2=CC3=C(C=C2)NC(=C3)C(=O)N

InChI

InChI=1S/C21H22N4O5/c22-16(5-7-19(26)27)21(29)24-14-3-1-2-12(8-14)11-30-15-4-6-17-13(9-15)10-18(25-17)20(23)28/h1-4,6,8-10,16,25H,5,7,11,22H2,(H2,23,28)(H,24,29)(H,26,27)