(2S)-2-[[(2S)-4-azanyl-2-(4-phenylbutanoylamino)butanoyl]amino]-3-phosphonooxy-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-(4-phenylbutanoylamino)butanoyl]amino]-3-phosphonooxy-propanoic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-(4-phenylbutanoylamino)butanoyl]amino]-3-phosphonooxy-propanoic acid CAS Name: (2S)-2-[[(2S)-4-amino-1-oxo-2-[(1-oxo-4-phenylbutyl)amino]butyl]amino]-3-phosphonooxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-(4-phenylbutanoylamino)butanoyl]amino]-3-phosphonooxypropanoic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-(4-phenylbutanoylamino)butanoyl]amino]-3-phosphonooxy-propionic acid Formula: C17H26N3O8P MolecularWeight: 431.377401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NC(CCN)C(=O)NC(COP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](COP(=O)(O)O)C(=O)O

InChI

InChI=1S/C17H26N3O8P/c18-10-9-13(16(22)20-14(17(23)24)11-28-29(25,26)27)19-15(21)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,18H2,(H,19,21)(H,20,22)(H,23,24)(H2,25,26,27)/t13-,14-/m0/s1