2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanesulfonic acid CAS Name: 2-[[(2R)-2-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanesulfonic acid Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCCS(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)NCCS(=O)(=O)O)N

InChI

InChI=1S/C20H25N3O6S/c21-17(12-14-4-2-1-3-5-14)19(25)23-18(13-15-6-8-16(24)9-7-15)20(26)22-10-11-30(27,28)29/h1-9,17-18,24H,10-13,21H2,(H,22,26)(H,23,25)(H,27,28,29)/t17-,18-/m1/s1