13-Lys-seminalplasmin
[CAS# 147958-06-3]

Identification

• Name: 13-Lys-seminalplasmin
• Synonyms: 2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Hexanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Hexanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]Acetic Acid; 2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-1-Oxo-2-[[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]Amino]Hexyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]Acetic Acid; 2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-(Prolylamino)Hexanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Hexanoyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]Acetic Acid
• Molecular Formula: C₇₆H₁₂₃N₁₇O₁₆
• Molecular Weight: 1530.91
• CAS Registry Number: 147958-06-3
• SMILES: [C@@H]1(NCCC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)CC2=C[NH]C3=C2C=CC=C3)CCCCN)CO)CC(C)C)CC4=CC=CC=C4)[C@H](O)C)CCCCN)CC(C)C)CC(C)C)CCCCN
• InChI: 1S/C76H123N17O16/c1-10-46(8)63(75(108)82-41-62(96)97)92-73(106)60(39-49-40-81-51-26-15-14-25-50(49)51)89-67(100)54(28-17-20-32-78)85-74(107)61(42-94)91-71(104)58(37-45(6)7)88-72(105)59(38-48-23-12-11-13-24-48)90-76(109)64(47(9)95)93-68(101)55(29-18-21-33-79)84-69(102)56(35-43(2)3)87-70(103)57(36-44(4)5)86-66(99)53(27-16-19-31-77)83-65(98)52-30-22-34-80-52/h11-15,23-26,40,43-47,52-61,63-64,80-81,94-95H,10,16-22,27-39,41-42,77-79H2,1-9H3,(H,82,108)(H,83,98)(H,84,102)(H,85,107)(H,86,99)(H,87,103)(H,88,105)(H,89,100)(H,90,109)(H,91,104)(H,92,106)(H,93,101)(H,96,97)/t46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,63-,64-/m0/s1
• InChIKey: MEHAQQQARFSCCN-TZBWDYHDSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 1750.388°C at 760 mmHg (Cal.)
• Flash point: 1012.398°C (Cal.)