4-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]butane-1-sulfonic acid

Systemtic Name: 4-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]butane-1-sulfonic acid Openeye Name: 4-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]butane-1-sulfonic acid CAS Name: 4-[[(2R)-2-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-butanesulfonic acid IUPAC Name: 4-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]butane-1-sulfonic acid Traditional Name: 4-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]butane-1-sulfonic acid Formula: C22H29N3O5S MolecularWeight: 447.54776

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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)NCCCCS(=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)NCCCCS(=O)(=O)O)N

InChI

InChI=1S/C22H29N3O5S/c23-19(15-17-9-3-1-4-10-17)21(26)25-20(16-18-11-5-2-6-12-18)22(27)24-13-7-8-14-31(28,29)30/h1-6,9-12,19-20H,7-8,13-16,23H2,(H,24,27)(H,25,26)(H,28,29,30)/t19-,20-/m1/s1