(2S)-2-[3-(3-azanylpropanoylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[3-(3-azanylpropanoylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[3-(3-aminopropanoylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[3-[(3-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[3-(3-aminopropanoylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[3-(3-aminopropanoylamino)propanoylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CCNC(=O)CCN)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CCNC(=O)CCN)O

InChI

InChI=1S/C15H21N3O5/c16-7-5-13(20)17-8-6-14(21)18-12(15(22)23)9-10-1-3-11(19)4-2-10/h1-4,12,19H,5-9,16H2,(H,17,20)(H,18,21)(H,22,23)/t12-/m0/s1