N-Acetyl-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-L-Threoninamide cyclic (2-7)-disulfide
[CAS# 103237-51-0]

Identification

• Name: N-Acetyl-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-L-Threoninamide cyclic (2-7)-disulfide
• Synonyms: 19-[(2-Acetamido-3-Phenyl-Propanoyl)Amino]-10-(4-Aminobutyl)-N-(1-Carbamoyl-2-Hydroxy-Propyl)-16-[(4-Hydroxyphenyl)Methyl]-13-(1H-Indol-3-Ylmethyl)-7-Isopropyl-6,9,12,15,18-Pentaoxo-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carboxamide; 19-[(2-Acetamido-1-Oxo-3-Phenylpropyl)Amino]-10-(4-Aminobutyl)-N-(1-Carbamoyl-2-Hydroxypropyl)-16-[(4-Hydroxyphenyl)Methyl]-13-(1H-Indol-3-Ylmethyl)-7-Isopropyl-6,9,12,15,18-Pentaoxo-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carboxamide; 19-[(2-Acetamido-3-Phenyl-Propanoyl)Amino]-10-(4-Aminobutyl)-N-(1-Carbamoyl-2-Hydroxy-Propyl)-16-(4-Hydroxybenzyl)-13-(1H-Indol-3-Ylmethyl)-7-Isopropyl-6,9,12,15,18-Pentaketo-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carboxamide
• Molecular Formula: C₅₂H₆₉N₁₁O₁₁S₂
• Molecular Weight: 1088.30
• CAS Registry Number: 103237-51-0
• SMILES: C2=C(C1=CC=CC=C1[NH]2)CC4NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC3=CC=CC=C3)CSSCC(NC(=O)C(NC(=O)C(NC4=O)CCCCN)C(C)C)C(=O)NC(C(=O)N)C(O)C)CC5=CC=C(O)C=C5
• InChI: 1S/C52H69N11O11S2/c1-28(2)43-52(74)61-42(51(73)63-44(29(3)64)45(54)67)27-76-75-26-41(60-47(69)38(56-30(4)65)22-31-12-6-5-7-13-31)50(72)58-39(23-32-17-19-34(66)20-18-32)48(70)59-40(24-33-25-55-36-15-9-8-14-35(33)36)49(71)57-37(46(68)62-43)16-10-11-21-53/h5-9,12-15,17-20,25,28-29,37-44,55,64,66H,10-11,16,21-24,26-27,53H2,1-4H3,(H2,54,67)(H,56,65)(H,57,71)(H,58,72)(H,59,70)(H,60,69)(H,61,74)(H,62,68)(H,63,73)
• InChIKey: RDQAXLBMDMKOLS-UHFFFAOYSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 1533.664°C at 760 mmHg (Cal.)
• Flash point: 881.328°C (Cal.)