(2S)-2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoate Openeye Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(2S,3S)-2-ammonio-3-methyl-1-oxopentyl]amino]-3-hydroxypropanoate IUPAC Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(2S,3S)-2-ammonio-3-methyl-pentanoyl]amino]-3-hydroxy-propionate Formula: C9H18N2O4 MolecularWeight: 218.25022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)[O-])[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])[NH3+]

InChI

InChI=1S/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6-,7-/m0/s1