L-Lysyl-L-Lysyl-L-Arginyl-L-Prolyl-(4R)-4-Hydroxy-L-Prolylglycyl-3-(2-Thienyl)-L-Alanyl-L-Seryl-D-Phenylalanyl-3-(2-Thienyl)-L-Alanyl-L-Arginine
[CAS# 103412-40-4]

Identification

• Name: L-Lysyl-L-Lysyl-L-Arginyl-L-Prolyl-(4R)-4-Hydroxy-L-Prolylglycyl-3-(2-Thienyl)-L-Alanyl-L-Seryl-D-Phenylalanyl-3-(2-Thienyl)-L-Alanyl-L-Arginine
• Synonyms: (2R)-3-[(2S)-1-[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2,6-Diaminohexanoyl]Amino]Hexanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]-2-[[(2S)-2-Amino-3-(2-Thienyl)Propanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-Amino-3-(2-Thienyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-Guanidino-2-[2-[[(2S,4R)-4-Hydroxypyrrolidine-2-Carbonyl]Amino]Acetyl]Pentanoic Acid; (2R)-3-[[(2S)-1-[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-1-Oxohexyl]Amino]-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-2-[[(2S)-2-Amino-1-Oxo-3-(2-Thienyl)Propyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxo-3-(2-Thienyl)Propyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-5-Guanidino-2-[2-[[[(2S,4R)-4-Hydroxy-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Pentanoic Acid; (2R)-3-[(2S)-1-[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2,6-Diaminohexanoyl]Amino]Hexanoyl]Amino]-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]-2-[[(2S)-2-Amino-3-(2-Thienyl)Propanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-Amino-3-(2-Thienyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-Guanidino-2-[2-[[(2S,4R)-4-Hydroxypyrrolidine-2-Carbonyl]Amino]Acetyl]Valeric Acid
• Molecular Formula: C₆₂H₉₅N₁₉O₁₄S₂
• Molecular Weight: 1394.67
• CAS Registry Number: 103412-40-4
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)CCCCN)CCCN=C(N)N)C(=O)C([C@@](N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CS2)CO)CC3=CC=CC=C3)C(=O)[C@@H](N)CC4=CC=CS4)(C(=O)CNC(=O)[C@H]5NC[C@H](O)C5)C(O)=O)CCN=C(N)N
• InChI: 1S/C62H95N19O14S2/c63-21-6-4-16-40(65)51(86)76-43(17-5-7-22-64)54(89)77-44(18-8-23-72-60(68)69)57(92)80-25-9-19-48(80)50(85)39(20-24-73-61(70)71)62(59(94)95,49(84)33-75-53(88)45-29-36(83)32-74-45)81(56(91)42(67)31-38-15-11-27-97-38)58(93)46(28-35-12-2-1-3-13-35)78-55(90)47(34-82)79-52(87)41(66)30-37-14-10-26-96-37/h1-3,10-15,26-27,36,39-48,74,82-83H,4-9,16-25,28-34,63-67H2,(H,75,88)(H,76,86)(H,77,89)(H,78,90)(H,79,87)(H,94,95)(H4,68,69,72)(H4,70,71,73)/t36-,39?,40+,41+,42+,43+,44+,45+,46-,47+,48+,62-/m1/s1
• InChIKey: IWARKKORVVZCCH-XCXQOIGMSA-N

Properties

• Density: 1.536g/cm³ (Cal.)