O-Ethyl-N-((1-mercaptocyclohexyl)acetyl)-D-tyrosyl-L-phenylalanyl-L-valyl-L-asparaginyl-L-cysteinyl-L-Lysinamide cyclic (1-5)-disulfide
[CAS# 98612-56-7]

Identification

• Name: O-Ethyl-N-((1-mercaptocyclohexyl)acetyl)-D-tyrosyl-L-phenylalanyl-L-valyl-L-asparaginyl-L-cysteinyl-L-Lysinamide cyclic (1-5)-disulfide
• Synonyms: (2S)-N-[(1R)-2-[[(1S)-5-Amino-1-Carbamoyl-Pentyl]Amino]-1-Methanethioyl-2-Oxo-Ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-Ethoxyphenyl)-2-[[2-(1-Sulfanylcyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Butanediamide; (2
• Molecular Formula: C₄₆H₆₇N₉O₉S₂
• Molecular Weight: 954.21
• CAS Registry Number: 98612-56-7
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC(=O)CC1(CCCCC1)S)CC2=CC=C(OCC)C=C2)=O)CC3=CC=CC=C3)=O)C(C)C)=O)CC(=O)N)=O)C=S)=O)CCCCN
• InChI: 1S/C46H67N9O9S2/c1-4-64-31-18-16-30(17-19-31)24-33(50-38(57)26-46(66)20-10-6-11-21-46)41(59)52-34(23-29-13-7-5-8-14-29)43(61)55-39(28(2)3)45(63)53-35(25-37(48)56)42(60)54-36(27-65)44(62)51-32(40(49)58)15-9-12-22-47/h5,7-8,13-14,16-19,27-28,32-36,39,66H,4,
• InChIKey: VNEOOMJYPUDQOL-MDLLQWLJSA-N

Properties

• Density: 1.293g/cm³ (Cal.)