(2S)-2-[[(2S)-2-[(3-azanyl-3,3-diphosphono-propyl)amino]propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[(3-azanyl-3,3-diphosphono-propyl)amino]propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[(3-amino-3,3-diphosphono-propyl)amino]propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[(3-amino-3,3-diphosphonopropyl)amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[(3-amino-3,3-diphosphonopropyl)amino]propanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[(3-amino-3,3-diphosphono-propyl)amino]propanoyl]amino]-4-(methylthio)butyric acid Formula: C11H25N3O9P2S MolecularWeight: 437.343422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)NCCC(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NCCC(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H25N3O9P2S/c1-7(9(15)14-8(10(16)17)3-6-26-2)13-5-4-11(12,24(18,19)20)25(21,22)23/h7-8,13H,3-6,12H2,1-2H3,(H,14,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)/t7-,8-/m0/s1