(2S,4R)-N-[(2S)-1-Amino-3-Hydroxy-1-Oxopropan-2-Yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]-4-Hydroxypyrrolidine-2-Carboxamide
[CAS# 77614-17-6]

Identification

• Name: (2S,4R)-N-[(2S)-1-Amino-3-Hydroxy-1-Oxopropan-2-Yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenylpropanoyl]Amino]Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]-4-Hydroxypyrrolidine-2-Carboxamide
• Synonyms: (2S,4R)-N-[(1S)-2-Amino-1-(Hydroxymethyl)-2-Oxo-Ethyl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]-4-Hydroxy-Pyrrolidine-2-Carboxamide; (2S,4R)-N-[(1S)-2-Amino-1-(Hydroxymethyl)-2-Oxoethyl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxoethyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]-4-Hydroxy-2-Pyrrolidinecarboxamide; (2S,4R)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]-N-[(1S)-2-Amino-2-Keto-1-Methylol-Ethyl]-4-Hydroxy-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₀H₅₀N₈O₁₁
• Molecular Weight: 818.88
• CAS Registry Number: 77614-17-6
• SMILES: [C@@H]4(N(C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)CC2=CC=CC=C2)CC3=CC=C(O)C=C3)C[C@H](O)C4)C(=O)N[C@H](C(=O)N)CO
• InChI: 1S/C40H50N8O11/c1-22(44-37(56)29(41)15-24-7-11-26(50)12-8-24)36(55)46-30(16-23-5-3-2-4-6-23)38(57)43-19-34(53)45-31(17-25-9-13-27(51)14-10-25)40(59)48-20-28(52)18-33(48)39(58)47-32(21-49)35(42)54/h2-14,22,28-33,49-52H,15-21,41H2,1H3,(H2,42,54)(H,43,57)(H,44,56)(H,45,53)(H,46,55)(H,47,58)/t22-,28-,29+,30+,31+,32+,33+/m1/s1
• InChIKey: OBMDBUWMBOPDST-JJDRJQAMSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 1359.145°C at 760 mmHg (Cal.)
• Flash point: 775.783°C (Cal.)