tert-Butyloxycarbonyl-sulfo-tyrosyl-psi-acetyl-glycyl-tryptophyl-norleucyl-aspartyl-phenylalanylamide
[CAS# 119068-32-5]

Identification

• Name: tert-Butyloxycarbonyl-sulfo-tyrosyl-psi-acetyl-glycyl-tryptophyl-norleucyl-aspartyl-phenylalanylamide
• Synonyms: 4-[[2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[2-[[2-[[5-[[2-(Tert-Butoxycarbonylamino)-3-(4-Sulfooxyphenyl)Propanoyl]Amino]-4-Oxo-Nonanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoylamino]-4-Oxo-Butanoic Acid; 4-[[2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[2-[[2-[[5-[[2-[(Tert-Butoxy-Oxomethyl)Amino]-1-Oxo-3-(4-Sulfooxyphenyl)Propyl]Amino]-1,4-Dioxononyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-4-Oxobutanoic Acid; 4-[[2-Amino-1-(Benzyl)-2-Keto-Ethyl]Amino]-3-[2-[[2-[[5-[[2-(Tert-Butoxycarbonylamino)-3-(4-Sulfoxyphenyl)Propanoyl]Amino]-4-Keto-Nonanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Hexanoylamino]-4-Keto-Butyric Acid
• Molecular Formula: C₅₃H₇₀N₈O₁₅S
• Molecular Weight: 1091.24
• CAS Registry Number: 119068-32-5
• SMILES: C1=CC=CC2=C1[NH]C=C2CC(NC(CCC(=O)C(NC(C(NC(OC(C)(C)C)=O)CC3=CC=C(C=C3)O[S](O)(=O)=O)=O)CCCC)=O)C(=O)NC(C(NC(CC(O)=O)C(NC(C(N)=O)CC4=CC=CC=C4)=O)=O)CCCC
• InChI: 1S/C53H70N8O15S/c1-6-8-18-38(57-49(68)41(61-52(71)75-53(3,4)5)28-33-21-23-35(24-22-33)76-77(72,73)74)44(62)25-26-45(63)56-42(29-34-31-55-37-20-14-13-17-36(34)37)50(69)58-39(19-9-7-2)48(67)60-43(30-46(64)65)51(70)59-40(47(54)66)27-32-15-11-10-12-16-32/h10-17,20-24,31,38-43,55H,6-9,18-19,25-30H2,1-5H3,(H2,54,66)(H,56,63)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,64,65)(H,72,73,74)
• InChIKey: NCFOOKGNFFMGDK-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)