2-[(3-azanyl-3,3-diphosphono-propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(3-azanyl-3,3-diphosphono-propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(3-amino-3,3-diphosphono-propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(3-amino-1-oxo-3,3-diphosphonopropyl)amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(3-amino-3,3-diphosphonopropanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(3-amino-3,3-diphosphono-propanoyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C14H19N3O9P2 MolecularWeight: 435.262882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H19N3O9P2/c15-14(27(21,22)23,28(24,25)26)6-12(18)17-11(13(19)20)5-8-7-16-10-4-2-1-3-9(8)10/h1-4,7,11,16H,5-6,15H2,(H,17,18)(H,19,20)(H2,21,22,23)(H2,24,25,26)