3-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(2R)-2-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propane-1-sulfonic acid Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c22-18(14-16-8-3-1-4-9-16)20(25)24-19(15-17-10-5-2-6-11-17)21(26)23-12-7-13-30(27,28)29/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,26)(H,24,25)(H,27,28,29)/t18-,19-/m1/s1