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

Systemtic Name: (2S)-2-[4-(3-azanylpropanoylamino)butanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[4-(3-aminopropanoylamino)butanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[4-[(3-amino-1-oxopropyl)amino]-1-oxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[4-(3-aminopropanoylamino)butanoylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[4-(3-aminopropanoylamino)butanoylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c17-8-7-14(21)18-9-1-2-15(22)19-13(16(23)24)10-11-3-5-12(20)6-4-11/h3-6,13,20H,1-2,7-10,17H2,(H,18,21)(H,19,22)(H,23,24)/t13-/m0/s1