Biphalin
[CAS# 83916-01-2]

Identification

• Name: Biphalin
• Synonyms: (2S)-2-Amino-N-[(1R)-2-[[2-[[(1S)-2-[N'-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Hydrazino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]-3-(4-Hydroxyphenyl)Propanamide; (2S)-2-Amino-N-[(1R)-2-[[2-[[(1S)-2-[N'-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Hydrazino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]-3-(4-Hydroxyphenyl)Propanamide; (2S)-2-Amino-N-[(1R)-2-[[2-[[(1S)-2-[N'-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Hydrazino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]-3-(4-Hydroxyphenyl)Propionamide
• Molecular Formula: C₄₆H₅₆N₁₀O₁₀
• Molecular Weight: 909.01
• CAS Registry Number: 83916-01-2
• SMILES: [C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)(C(=O)NNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4
• InChI: 1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
• InChIKey: DESSEGDLRYOPTJ-VRANXALZSA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 1395.632°C at 760 mmHg (Cal.)
• Flash point: 797.849°C (Cal.)