D-Arginyl-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# 103412-42-6]

Identification

• Name: D-Arginyl-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-[[(2R)-2-Amino-5-Guanidino-Pentanoyl]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; 2,2,2-Trifluoroacetic Acid; (2R)-3-[[(2S)-1-[(2S)-2-[[(2R)-2-Amino-5-Guanidino-1-Oxopentyl]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; 2,2,2-Trifluoroacetic Acid; (2R)-3-[(2S)-1-[(2S)-2-[[(2R)-2-Amino-5-Guanidino-Pentanoyl]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; 2,2,2-Trifluoroacetic Acid
• Molecular Formula: C₅₈H₈₄F₃N₁₉O₁₅S₂
• Molecular Weight: 1408.54
• CAS Registry Number: 103412-42-6
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@H](N)CCCN=C(N)N)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.O=C(O)C(F)(F)F
• InChI: 1S/C56H83N19O13S2.C2HF3O2/c57-35(13-4-17-66-53(60)61)45(80)71-38(14-5-18-67-54(62)63)50(85)74-20-6-15-42(74)44(79)34(16-19-68-55(64)65)56(52(87)88,43(78)28-70-47(82)39-24-31(77)27-69-39)75(49(84)37(59)26-33-12-8-22-90-33)51(86)40(23-30-9-2-1-3-10-30)72-48(83)41(29-76)73-46(81)36(58)25-32-11-7-21-89-32;3-2(4,5)1(6)7/h1-3,7-12,21-22,31,34-42,69,76-77H,4-6,13-20,23-29,57-59H2,(H,70,82)(H,71,80)(H,72,83)(H,73,81)(H,87,88)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68);(H,6,7)/t31-,34?,35-,36+,37+,38+,39+,40-,41+,42+,56-;/m1./s1
• InChIKey: FNVVQNCLFABNRW-USEXEYBZSA-N