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CAS RN 9076-44-2

CAS RN 9076-44-2

IUPAC Name: (2S)-2-({[(S)-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)({[(1S)-2-methyl-1-{[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl})methyl]carbamoyl}amino)-3-phenylpropanoic acid; (2S)-2-({[(S)-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)({[(1S)-3-methyl-1-{[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl}butyl]carbamoyl})methyl]carbamoyl}amino)-3-phenylpropanoic acid; (2S)-2-({[(S)-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)({[(1S,2S)-2-methyl-1-{[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl}butyl]carbamoyl})methyl]carbamoyl}amino)-3-phenylpropanoic acid
Synonyms: (2S)-2-({[(S)-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)({[(1S)-2-methyl-1-{[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl})methyl]carbamoyl}amino)-3-phenylpropanoic acid; (2S)-2-({[(S)-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)({[(1S)-3-methyl-1-{[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl}butyl]carbamoyl})methyl]carbamoyl}amino)-3-phenylpropanoic acid; (2S)-2-({[(S)-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)({[(1S,2S)-2-methyl-1-{[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl}butyl]carbamoyl})methyl]carbamoyl}amino)-3-phenylpropanoic acid
Molecular Weight (g/mol): 1809.11
Molecular Formula: C92H121N21O18
InChi Key: QJIJPLFVFWXMGK-KSPFWWQASA-N
SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C1CCN=C(N)N1)C(=O)N[C@@H](CC1=CC=CC=C1)C=O.CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C1CCN=C(N)N1)C(=O)N[C@@H](CC1=CC=CC=C1)C=O.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C1CCN=C(N)N1)C(=O)N[C@@H](CC1=CC=CC=C1)C=O

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