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Name | (2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methylbutanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Pyrrolidine-2-Carboxylic Acid |
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Synonyms | (2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methyl-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Methyl-1-Oxobutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methyl-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Proline |
Molecular Structure | |
Molecular Formula | C35H46N6O8 |
Molecular Weight | 678.78 |
CAS Registry Number | 137372-37-3 |
SMILES | [C@H]1(C(=O)O)N(CCC1)C([C@@H](NC(CNC([C@H]2N(CCC2)C([C@@H](NC([C@@H](N)CC3=CC=C(O)C=C3)=O)C(C)C)=O)=O)=O)CC4=CC=CC=C4)=O |
InChI | 1S/C35H46N6O8/c1-21(2)30(39-31(44)25(36)18-23-12-14-24(42)15-13-23)34(47)40-16-6-10-27(40)32(45)37-20-29(43)38-26(19-22-8-4-3-5-9-22)33(46)41-17-7-11-28(41)35(48)49/h3-5,8-9,12-15,21,25-28,30,42H,6-7,10-11,16-20,36H2,1-2H3,(H,37,45)(H,38,43)(H,39,44)(H,48,49)/t25-,26-,27-,28-,30-/m0/s1 |
InChIKey | NBVNWULFQHYLQB-KGEMVMTLSA-N |
Density | 1.319g/cm3 (Cal.) |
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Boiling point | 1082.012°C at 760 mmHg (Cal.) |
Flash point | 608.179°C (Cal.) |