(2S)-5-azanyl-2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]methyl]-3-phenyl-propanoyl]amino]pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]methyl]-3-phenyl-propanoyl]amino]pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]propanoyl]amino]pentanoic acid CAS Name: (2S)-5-amino-2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]pentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]pentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]propanoyl]amino]valeric acid Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NC(CCCN)C(=O)O

Isomeric SMILES

C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCN)C(=O)O

InChI

InChI=1S/C28H39N3O4/c1-20-18-31(15-13-28(20,2)23-10-6-11-24(32)17-23)19-22(16-21-8-4-3-5-9-21)26(33)30-25(27(34)35)12-7-14-29/h3-6,8-11,17,20,22,25,32H,7,12-16,18-19,29H2,1-2H3,(H,30,33)(H,34,35)/t20-,22-,25-,28+/m0/s1