Deltorphin B
[CAS# 122752-16-3]

Identification

• Name: Deltorphin B
• Synonyms: (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-[[1-[[(1S)-1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-2-Methyl-Propyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-5-[[1-[[[(1S)-1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-[[1-[[(1S)-1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-2-Methyl-Propyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₈H₅₄N₈O₁₀
• Molecular Weight: 782.89
• CAS Registry Number: 122752-16-3
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)CC2=CC=CC=C2)(C(=O)NC(C(=O)N[C@H](C(=O)NCC(=O)N)C(C)C)C(C)C)CCC(=O)O
• InChI: 1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32?/m1/s1
• InChIKey: NUNBRHVOPFWRRG-MPNDMYOWSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 1256.234°C at 760 mmHg (Cal.)
• Flash point: 713.544°C (Cal.)