L-Prolyl-L-Threonyl-L-Histidyl-L-Isoleucyl-L-Lysyl-L-Tryptophylglycyl-L-Aspartic Acid
[CAS# 117620-76-5]

Identification

• Name: L-Prolyl-L-Threonyl-L-Histidyl-L-Isoleucyl-L-Lysyl-L-Tryptophylglycyl-L-Aspartic Acid
• Synonyms: (2S)-2-[[2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-Hydroxy-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Butanoyl]Amino]-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]Hexanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Acetyl]Amino]Butanedioic Acid; (2S)-2-[[2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-Hydroxy-1-Oxo-2-[[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]Amino]Butyl]Amino]-3-(4H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-1-Oxohexyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]Butanedioic Acid; (2S)-2-[[2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-Hydroxy-2-(Prolylamino)Butanoyl]Amino]-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]Hexanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]Acetyl]Amino]Succinic Acid
• Molecular Formula: C₄₄H₆₄N₁₂O₁₂
• Molecular Weight: 953.06
• CAS Registry Number: 117620-76-5
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NCCC1)[C@H](O)C)CC2N=CN=C2)[C@H](CC)C)CCCCN)(CC3=C[NH]C4=CC=CC=C34)C(=O)NCC(=O)N[C@H](C(=O)O)CC(=O)O
• InChI: 1S/C44H64N12O12/c1-4-23(2)36(55-41(64)32(17-26-20-46-22-50-26)54-43(66)37(24(3)57)56-39(62)29-13-9-15-47-29)42(65)52-30(12-7-8-14-45)40(63)53-31(16-25-19-48-28-11-6-5-10-27(25)28)38(61)49-21-34(58)51-33(44(67)68)18-35(59)60/h5-6,10-11,19-20,22-24,26,29-33,36-37,47-48,57H,4,7-9,12-18,21,45H2,1-3H3,(H,49,61)(H,51,58)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)(H,59,60)(H,67,68)/t23-,24+,26?,29-,30-,31-,32-,33-,36-,37-/m0/s1
• InChIKey: QHUUNGHLTDXTBT-GVOZJOKJSA-N
• Protein Sequence: H-Pro-Thr-His-Ile-Lys-Trp-Gly-Asp-OH

Properties

• Density: 1.496g/cm³ (Cal.)