2-[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]ethanoic acid dihydrate

Systemtic Name: 2-[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]ethanoylamino]ethanoic acid dihydrate Openeye Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetic acid dihydrate CAS Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid dihydrate IUPAC Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetic acid dihydrate Traditional Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetic acid dihydrate Formula: C15H22N4O6 MolecularWeight: 354.35838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)NCC(=O)O)N.O.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)NCC(=O)O)N.O.O

InChI

InChI=1S/C15H18N4O4.2H2O/c16-11(15(23)19-7-13(20)18-8-14(21)22)5-9-6-17-12-4-2-1-3-10(9)12;;/h1-4,6,11,17H,5,7-8,16H2,(H,18,20)(H,19,23)(H,21,22);2*1H2