Phe-cyclo(cys-tyr-trp-lys-val-cys)thr-NH2
[CAS# 99660-13-6]

Identification

• Name: Phe-cyclo(cys-tyr-trp-lys-val-cys)thr-NH2
• Synonyms: 10-(4-Aminobutyl)-19-[(2-Amino-3-Phenyl-Propanoyl)Amino]-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; 10-(4-Aminobutyl)-1
• Molecular Formula: C₅₀H₆₇N₁₁O₁₀S₂
• Molecular Weight: 1046.27
• CAS Registry Number: 99660-13-6
• SMILES: C5=C(CC1C(NC(C(NC(C(C)C)C(NC(CSSCC(C(NC(C(N1)=O)CC2=CC=C(C=C2)O)=O)NC(=O)C(N)CC3=CC=CC=C3)C(=O)NC(C(C)O)C(N)=O)=O)=O)CCCCN)=O)C4=CC=CC=C4[NH]5
• InChI: 1S/C50H67N11O10S2/c1-27(2)41-50(71)59-40(49(70)61-42(28(3)62)43(53)64)26-73-72-25-39(58-44(65)34(52)21-29-11-5-4-6-12-29)48(69)56-37(22-30-16-18-32(63)19-17-30)46(67)57-38(23-31-24-54-35-14-8-7-13-33(31)35)47(68)55-36(45(66)60-41)15-9-10-20-51/h4-8,11-14,
• InChIKey: MIUXMABDESTPBG-UHFFFAOYSA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 1471.477°C at 760 mmHg (Cal.)
• Flash point: 843.719°C (Cal.)