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Name | (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methylpentanoyl]Amino]-3-Phenylpropanoyl]Pyrrolidine-2-Carboxylic Acid |
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Synonyms | (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxoethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Proline |
Molecular Structure | |
Molecular Formula | C36H48N6O8 |
Molecular Weight | 692.81 |
CAS Registry Number | 137372-36-2 |
SMILES | [C@H]1(C(=O)O)N(CCC1)C([C@@H](NC([C@@H](NC([C@H]2N(CCC2)C(CNC([C@@H](N)CC3=CC=C(O)C=C3)=O)=O)=O)CC(C)C)=O)CC4=CC=CC=C4)=O |
InChI | 1S/C36H48N6O8/c1-22(2)18-27(33(46)40-28(20-23-8-4-3-5-9-23)35(48)42-17-7-11-30(42)36(49)50)39-34(47)29-10-6-16-41(29)31(44)21-38-32(45)26(37)19-24-12-14-25(43)15-13-24/h3-5,8-9,12-15,22,26-30,43H,6-7,10-11,16-21,37H2,1-2H3,(H,38,45)(H,39,47)(H,40,46)(H,49,50)/t26-,27-,28-,29-,30-/m0/s1 |
InChIKey | GWXOEHPRWMAKPT-IIZANFQQSA-N |
Density | 1.304g/cm3 (Cal.) |
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Boiling point | 1082.214°C at 760 mmHg (Cal.) |
Flash point | 608.301°C (Cal.) |