(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-6-oxidanyl-hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-azanyl-6-oxidanyl-hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-6-hydroxy-hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-6-hydroxy-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-6-hydroxyhexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-6-hydroxy-hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]glutaric acid Formula: C20H29N3O8 MolecularWeight: 439.45956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCCCO)N)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCCO)N)O

InChI

InChI=1S/C20H29N3O8/c21-14(3-1-2-10-24)18(28)23-16(11-12-4-6-13(25)7-5-12)19(29)22-15(20(30)31)8-9-17(26)27/h4-7,14-16,24-25H,1-3,8-11,21H2,(H,22,29)(H,23,28)(H,26,27)(H,30,31)/t14-,15-,16-/m0/s1