Phenylmethyl (2S)-2-[[(2R)-2-[[(2S)-5-Amino-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-5-Oxopentanoyl]Amino]-3-(1-Formylindol-3-Yl)Propanoyl]Amino]-3-Phenylpropanoate
[CAS# 126088-82-2]

Identification

• Name: Phenylmethyl (2S)-2-[[(2R)-2-[[(2S)-5-Amino-2-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-5-Oxopentanoyl]Amino]-3-(1-Formylindol-3-Yl)Propanoyl]Amino]-3-Phenylpropanoate
• Synonyms: Phenylmethyl (2S)-2-[[(2R)-2-[[(2S)-5-Amino-2-(Tert-Butoxycarbonylamino)-5-Oxo-Pentanoyl]Amino]-3-(1-Formylindol-3-Yl)Propanoyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[(2R)-2-[[(2S)-5-Amino-2-[(Tert-Butoxy-Oxomethyl)Amino]-1,5-Dioxopentyl]Amino]-3-(1-Formyl-3-Indolyl)-1-Oxopropyl]Amino]-3-Phenylpropanoic Acid Phenylmethyl Ester; (2S)-2-[[(2R)-2-[[(2S)-5-Amino-2-(Tert-Butoxycarbonylamino)-5-Keto-Pentanoyl]Amino]-3-(1-Formylindol-3-Yl)Propanoyl]Amino]-3-Phenyl-Propionic Acid Benzyl Ester
• Molecular Formula: C₃₈H₄₃N₅O₈
• Molecular Weight: 697.79
• CAS Registry Number: 126088-82-2
• SMILES: [C@H](C(=O)OCC1=CC=CC=C1)(NC([C@H](NC([C@@H](NC(=O)OC(C)(C)C)CCC(=O)N)=O)CC2=C[N](C3=CC=CC=C23)C=O)=O)CC4=CC=CC=C4
• InChI: 1S/C38H43N5O8/c1-38(2,3)51-37(49)42-29(18-19-33(39)45)34(46)40-30(21-27-22-43(24-44)32-17-11-10-16-28(27)32)35(47)41-31(20-25-12-6-4-7-13-25)36(48)50-23-26-14-8-5-9-15-26/h4-17,22,24,29-31H,18-21,23H2,1-3H3,(H2,39,45)(H,40,46)(H,41,47)(H,42,49)/t29-,30+,31-/m0/s1
• InChIKey: ZFZOHFAASQHWER-YPKYBTACSA-N

Properties

• Density: 1.269g/cm³ (Cal.)