2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidin-2-Yl]Methylamino]-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetic Acid
[CAS# 138474-03-0]

Identification

• Name: 2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidin-2-Yl]Methylamino]-3-Phenylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetic Acid
• Synonyms: 2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidin-2-Yl]Methylamino]-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetic Acid; 2-[[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]-2-Pyrrolidinyl]Methylamino]-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Acetic Acid; 2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Pyrrolidin-2-Yl]Methylamino]-3-Phenyl-Propanoyl]Pyrrolidin-2-Yl]Carbonylamino]Ethanoic Acid
• Molecular Formula: C₃₀H₃₉N₅O₆
• Molecular Weight: 565.67
• CAS Registry Number: 138474-03-0
• SMILES: [C@H]1(C(NCC(=O)O)=O)N(CCC1)C([C@@H](NC[C@H]2N(CCC2)C([C@H](CC3=CC=C(C=C3)O)N)=O)CC4=CC=CC=C4)=O
• InChI: 1S/C30H39N5O6/c31-24(16-21-10-12-23(36)13-11-21)29(40)34-14-4-8-22(34)18-32-25(17-20-6-2-1-3-7-20)30(41)35-15-5-9-26(35)28(39)33-19-27(37)38/h1-3,6-7,10-13,22,24-26,32,36H,4-5,8-9,14-19,31H2,(H,33,39)(H,37,38)/t22-,24-,25-,26-/m0/s1
• InChIKey: NQIQNYXFRNTZPC-GKXKVECMSA-N