(2R)-2-[[(2S)-1-[[(2S)-6-(dimethylamino)-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoic acid

Systemtic Name: (2R)-2-[[(2S)-1-[[(2S)-6-(dimethylamino)-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoic acid Openeye Name: (2R)-2-[[(1S)-1-[[(1S)-5-(dimethylamino)-1-(phenylcarbamoyl)pentyl]carbamoyl]-3-phenyl-propyl]amino]propanoic acid CAS Name: (2R)-2-[[(2S)-1-[[(2S)-1-anilino-6-(dimethylamino)-1-oxohexan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-1-[[(2S)-1-anilino-6-(dimethylamino)-1-oxohexan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid Traditional Name: (2R)-2-[[(1S)-1-[[(1S)-5-(dimethylamino)-1-(phenylcarbamoyl)pentyl]carbamoyl]-3-phenyl-propyl]amino]propionic acid Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(CCC1=CC=CC=C1)C(=O)NC(CCCCN(C)C)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](CCCCN(C)C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C27H38N4O4/c1-20(27(34)35)28-24(18-17-21-12-6-4-7-13-21)26(33)30-23(16-10-11-19-31(2)3)25(32)29-22-14-8-5-9-15-22/h4-9,12-15,20,23-24,28H,10-11,16-19H2,1-3H3,(H,29,32)(H,30,33)(H,34,35)/t20-,23+,24+/m1/s1