L-Lysyl-L-lysyl-L-arginyl-(4R)-4-hydroxy-L-prolyl-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-phenylalanyl-3-(2-thienyl)-L-alanyl-L-Arginine
[CAS# 103412-37-9]

Identification

• Name: L-Lysyl-L-lysyl-L-arginyl-(4R)-4-hydroxy-L-prolyl-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-phenylalanyl-3-(2-thienyl)-L-alanyl-L-Arginine
• Synonyms: [(2R)-2-[[(2S)-2-[[(2S)-2-Amino-3-(2-Thienyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl] (2R,4S)-4-[[(2S)-6-Amino-2-[[(2S)-2,6-Diaminohexanoyl]Amino]Hexanoyl]Amino]-2-[[(2S)-2-Amino-3-(4-Hydroxy-2-Thienyl)Propanoyl]-[2-[[(2S)-1-[(2S)-Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-7-Guanidino-2-(3-Guanidinopropyl)-3-Oxo-Heptanoate; (2R,4S)-4-[[(2S)-6-Amino-2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-1-Oxohexyl]Amino]-2-[[(2S)-2-Amino-3-(4-Hydroxy-2-Thienyl)-1-Oxopropyl]-[1-Oxo-2-[[Oxo-[(2S)-1-[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]-2-Pyrrolidinyl]Methyl]Amino]Ethyl]Amino]-7-Guanidino-2-(3-Guanidinopropyl)-3-Oxoheptanoic Acid [(2R)-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxo-3-(2-Thienyl)Propyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl] Ester; (2R,4S)-4-[[(2S)-6-Amino-2-[[(2S)-2,6-Diaminohexanoyl]Amino]Hexanoyl]Amino]-2-[[(2S)-2-Amino-3-(4-Hydroxy-2-Thienyl)Propanoyl]-[2-[[(2S)-1-Prolylpyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-7-Guanidino-2-(3-Guanidinopropyl)-3-Keto-Enanthic Acid [(2R)-2-[[(2S)-2-[[(2S)-2-Amino-3-(2-Thienyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl] Ester
• Molecular Formula: C₆₂H₉₅N₁₉O₁₄S₂
• Molecular Weight: 1394.67
• CAS Registry Number: 103412-37-9
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@H]2NCCC2)C(=O)NCC(=O)N([C@](CCCN=C(N)N)(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)CCCCN)CCCN=C(N)N)C(OC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC3=CC=CS3)CO)CC4=CC=CC=C4)=O)C(=O)[C@@H](N)CC5=CC(=CS5)O
• InChI: 1S/C62H95N19O14S2/c63-22-6-4-16-40(65)51(86)77-44(17-5-7-23-64)53(88)76-43(18-8-25-73-60(68)69)50(85)62(21-12-26-74-61(70)71,59(94)95-58(93)46(29-36-13-2-1-3-14-36)78-54(89)47(34-82)79-52(87)41(66)31-38-15-11-28-96-38)81(56(91)42(67)32-39-30-37(83)35-97-39)49(84)33-75-55(90)48-20-10-27-80(48)57(92)45-19-9-24-72-45/h1-3,11,13-15,28,30,35,40-48,72,82-83H,4-10,12,16-27,29,31-34,63-67H2,(H,75,90)(H,76,88)(H,77,86)(H,78,89)(H,79,87)(H4,68,69,73)(H4,70,71,74)/t40-,41-,42-,43-,44-,45-,46+,47-,48-,62+/m0/s1
• InChIKey: HKNHKCVEWPZUNK-SZNSIZNJSA-N

Properties

• Density: 1.52g/cm³ (Cal.)