(2R)-2-[[(2S)-1-[[(2S)-7-azanyl-1-oxidanylidene-1-phenylazanyl-heptan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoic acid

Systemtic Name: (2R)-2-[[(2S)-1-[[(2S)-7-azanyl-1-oxidanylidene-1-phenylazanyl-heptan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoic acid Openeye Name: (2R)-2-[[(1S)-1-[[(1S)-6-amino-1-(phenylcarbamoyl)hexyl]carbamoyl]-3-phenyl-propyl]amino]propanoic acid CAS Name: (2R)-2-[[(2S)-1-[[(2S)-7-amino-1-anilino-1-oxoheptan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-1-[[(2S)-7-amino-1-anilino-1-oxoheptan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid Traditional Name: (2R)-2-[[(1S)-1-[[(1S)-6-amino-1-(phenylcarbamoyl)hexyl]carbamoyl]-3-phenyl-propyl]amino]propionic acid Formula: C26H36N4O4 MolecularWeight: 468.58844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(CCC1=CC=CC=C1)C(=O)NC(CCCCCN)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)O)N[C@@H](CCC1=CC=CC=C1)C(=O)N[C@@H](CCCCCN)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C26H36N4O4/c1-19(26(33)34)28-23(17-16-20-11-5-2-6-12-20)25(32)30-22(15-9-4-10-18-27)24(31)29-21-13-7-3-8-14-21/h2-3,5-8,11-14,19,22-23,28H,4,9-10,15-18,27H2,1H3,(H,29,31)(H,30,32)(H,33,34)/t19-,22+,23+/m1/s1