Ociltide
[CAS# 78410-57-8]

Identification

• Name: Ociltide
• Synonyms: 2-[[2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-6-Formamido-N-[2-Oxo-2-[[2-Oxo-2-[(2-Oxotetrahydrothiophen-3-Yl)Amino]-1-(Phenylmethyl)Ethyl]Amino]Ethyl]Hexanamide; 2-[[2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-6-Formamido-N-[2-Oxo-2-[[2-Oxo-2-[(2-Oxo-3-Tetrahydrothiophenyl)Amino]-1-(Phenylmethyl)Ethyl]Amino]Ethyl]Hexanamide; 2-[[2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-N-[2-[[1-(Benzyl)-2-Keto-2-[(2-Ketotetrahydrothiophen-3-Yl)Amino]Ethyl]Amino]-2-Keto-Ethyl]-6-Formamido-Hexanamide
• Molecular Formula: C₃₁H₄₀N₆O₇S
• Molecular Weight: 640.75
• CAS Registry Number: 78410-57-8
• SMILES: C1=CC=CC=C1CC(C(NC2C(SCC2)=O)=O)NC(CNC(C(NC(C(CC3=CC=C(C=C3)O)N)=O)CCCCNC=O)=O)=O
• InChI: 1S/C31H40N6O7S/c32-23(16-21-9-11-22(39)12-10-21)28(41)36-24(8-4-5-14-33-19-38)29(42)34-18-27(40)35-26(17-20-6-2-1-3-7-20)30(43)37-25-13-15-45-31(25)44/h1-3,6-7,9-12,19,23-26,39H,4-5,8,13-18,32H2,(H,33,38)(H,34,42)(H,35,40)(H,36,41)(H,37,43)
• InChIKey: RQBSKKBNALPMSL-UHFFFAOYSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 1145.701°C at 760 mmHg (Cal.)
• Flash point: 646.697°C (Cal.)