H-Ornithyl-2-(2-Nitrophenylsulfenyl)Tryptophan Methyl Ester
[CAS# 121864-76-4]

Identification

• Name: H-Ornithyl-2-(2-Nitrophenylsulfenyl)Tryptophan Methyl Ester
• Synonyms: (2S)-2-[[(2S)-2,5-Diamino-1-Oxopentyl]Amino]-3-[1-[(2-Nitrophenyl)Thio]-3-Indolyl]Propanoic Acid Methyl Ester; (2S)-2-[[(2S)-2,5-Diaminopentanoyl]Amino]-3-[1-[(2-Nitrophenyl)Thio]Indol-3-Yl]Propionic Acid Methyl Ester; H-Orn-Trp(Nps)-Ome
• Molecular Formula: C₂₃H₂₇N₅O₅S
• Molecular Weight: 485.56
• CAS Registry Number: 121864-76-4
• SMILES: [C@@H](C(=O)OC)(CC1=C[N](C2=C1C=CC=C2)SC3=C(C=CC=C3)[N+]([O-])=O)NC(=O)[C@@H](N)CCCN
• InChI: 1S/C23H27N5O5S/c1-33-23(30)18(26-22(29)17(25)8-6-12-24)13-15-14-27(19-9-3-2-7-16(15)19)34-21-11-5-4-10-20(21)28(31)32/h2-5,7,9-11,14,17-18H,6,8,12-13,24-25H2,1H3,(H,26,29)/t17-,18-/m0/s1
• InChIKey: IUECJFZUHONGHL-ROUUACIJSA-N

Properties

• Density: 1.403g/cm³ (Cal.)