(2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino]-5-keto-valerate Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)N)C(=O)[O-])[NH3+])O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)[O-])[NH3+])O

InChI

InChI=1S/C14H19N3O5/c15-10(7-8-1-3-9(18)4-2-8)13(20)17-11(14(21)22)5-6-12(16)19/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)/t10-,11-/m0/s1