Phenylalanyl-Cyclo(Cysteinyl-Tyrosyltryptophyl-Lysyl-Threonyl-Penicillamine)Threoninamide
[CAS# 96384-03-1]

Identification

• Name: Phenylalanyl-Cyclo(Cysteinyl-Tyrosyltryptophyl-Lysyl-Threonyl-Penicillamine)Threoninamide
• Synonyms: 10-(4-Aminobutyl)-19-[(2-Amino-3-Phenyl-Propanoyl)Amino]-N-(1-Carbamoyl-2-Hydroxy-Propyl)-7-(1-Hydroxyethyl)-16-[(4-Hydroxyphenyl)Methyl]-13-(1H-Indol-2-Ylmethyl)-3,3-Dimethyl-6,9,12,15,18-Pentaoxo-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carboxamide
• Molecular Formula: C₅₁H₆₉N₁₁O₁₁S₂
• Molecular Weight: 1076.29
• CAS Registry Number: 96384-03-1
• SMILES: C1=C([NH]C2=C1C=CC=C2)CC4NC(=O)C(NC(=O)C(NC(=O)C(N)CC3=CC=CC=C3)CSSC(C(NC(=O)C(NC(=O)C(NC4=O)CCCCN)C(O)C)C(=O)NC(C(=O)N)C(O)C)(C)C)CC5=CC=C(O)C=C5
• InChI: 1S/C51H69N11O11S2/c1-27(63)40(43(54)66)60-50(73)42-51(3,4)75-74-26-39(59-44(67)34(53)22-29-12-6-5-7-13-29)48(71)57-37(23-30-17-19-33(65)20-18-30)46(69)58-38(25-32-24-31-14-8-9-15-35(31)55-32)47(70)56-36(16-10-11-21-52)45(68)61-41(28(2)64)49(72)62-42/h5-9,
• InChIKey: MOBFVGBRZZZQHB-UHFFFAOYSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 1489.051°C at 760 mmHg (Cal.)
• Flash point: 854.347°C (Cal.)