(2S)-1-[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 137372-38-4]

Identification

• Name: (2S)-1-[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenylpropanoyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[2-[[[(2S)-1-[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxoethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Proline
• Molecular Formula: C₃₂H₄₀N₆O₈
• Molecular Weight: 636.70
• CAS Registry Number: 137372-38-4
• SMILES: [C@H]1(C(=O)O)N(CCC1)C([C@@H](NC(CNC([C@H]2N(CCC2)C(CNC([C@@H](N)CC3=CC=C(O)C=C3)=O)=O)=O)=O)CC4=CC=CC=C4)=O
• InChI: 1S/C32H40N6O8/c33-23(16-21-10-12-22(39)13-11-21)29(42)35-19-28(41)37-14-4-8-25(37)30(43)34-18-27(40)36-24(17-20-6-2-1-3-7-20)31(44)38-15-5-9-26(38)32(45)46/h1-3,6-7,10-13,23-26,39H,4-5,8-9,14-19,33H2,(H,34,43)(H,35,42)(H,36,40)(H,45,46)/t23-,24-,25-,26-/m0/s1
• InChIKey: QXZMVZKOBWPZCR-CQJMVLFOSA-N

Properties

• Density: 1.371g/cm³ (Cal.)
• Boiling point: 1097.704°C at 760 mmHg (Cal.)
• Flash point: 617.669°C (Cal.)