1-[[1-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]ethylphosphonic acid

Systemtic Name: 1-[[1-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]ethylphosphonic acid Openeye Name: 1-[[1-[[2-amino-3-(1H-indol-3-yl)propanoyl]-methyl-carbamoyl]-3-methyl-butyl]amino]ethylphosphonic acid CAS Name: 1-[[1-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-methylamino]-4-methyl-1-oxopentan-2-yl]amino]ethylphosphonic acid IUPAC Name: 1-[[1-[[2-amino-3-(1H-indol-3-yl)propanoyl]-methylamino]-4-methyl-1-oxopentan-2-yl]amino]ethylphosphonic acid Traditional Name: 1-[[1-[[2-amino-3-(1H-indol-3-yl)propanoyl]-methyl-carbamoyl]-3-methyl-butyl]amino]ethylphosphonic acid Formula: C20H31N4O5P MolecularWeight: 438.457701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)C(=O)C(CC1=CNC2=CC=CC=C21)N)NC(C)P(=O)(O)O

Isomeric SMILES

CC(C)CC(C(=O)N(C)C(=O)C(CC1=CNC2=CC=CC=C21)N)NC(C)P(=O)(O)O

InChI

InChI=1S/C20H31N4O5P/c1-12(2)9-18(23-13(3)30(27,28)29)20(26)24(4)19(25)16(21)10-14-11-22-17-8-6-5-7-15(14)17/h5-8,11-13,16,18,22-23H,9-10,21H2,1-4H3,(H2,27,28,29)