(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]-N-[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]-3-(1H-Indol-3-Yl)Propanamide
[CAS# 76932-83-7]

Identification

• Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]-N-[(2S)-1-Amino-1-Oxo-3-Phenylpropan-2-Yl]-3-(1H-Indol-3-Yl)Propanamide
• Synonyms: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]-N-[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]-3-(1H-Indol-3-Yl)Propanamide; (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-N-[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]-3-(1H-Indol-3-Yl)Propanamide; (2R)-N-[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Propanoyl]Amino]-3-(1H-Indol-3-Yl)Propionamide
• Molecular Formula: C₄₃H₄₆N₈O₆
• Molecular Weight: 770.89
• CAS Registry Number: 76932-83-7
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC2=C[NH]C3=CC=CC=C23)C)(CC4=C[NH]C5=CC=CC=C45)C(=O)N[C@H](C(=O)N)CC6=CC=CC=C6
• InChI: 1S/C43H46N8O6/c1-25(48-42(56)37(21-28-23-46-34-13-7-5-11-31(28)34)51-41(55)33(44)19-27-15-17-30(52)18-16-27)40(54)50-38(22-29-24-47-35-14-8-6-12-32(29)35)43(57)49-36(39(45)53)20-26-9-3-2-4-10-26/h2-18,23-25,33,36-38,46-47,52H,19-22,44H2,1H3,(H2,45,53)(H,48,56)(H,49,57)(H,50,54)(H,51,55)/t25-,33-,36-,37+,38+/m0/s1
• InChIKey: JFMKMZZAVDKJAH-DVFGYWHBSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 1263.988°C at 760 mmHg (Cal.)
• Flash point: 718.234°C (Cal.)