L-Alanyl-L-Prolylglycyl-L-alpha-Aspartyl-L-Arginyl-L-Isoleucyl-L-Tyrosyl-L-Valyl-L-Histidyl-L-Prolyl-L-Phenylalanine
[CAS# 72007-47-7]

Identification

• Name: L-Alanyl-L-Prolylglycyl-L-alpha-Aspartyl-L-Arginyl-L-Isoleucyl-L-Tyrosyl-L-Valyl-L-Histidyl-L-Prolyl-L-Phenylalanine
• Synonyms: (3S)-3-[[2-[[(2S)-1-[(2S)-2-Aminopropanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-4-[[(1S)-4-Guanidino-1-[[(1S,2S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[(2S)-2-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Carbamoyl]Butyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[2-[[[(2S)-1-[(2S)-2-Amino-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-4-[[(1S)-4-Guanidino-1-[[[(1S,2S)-1-[[[(1S)-2-[[(1S)-1-[[[(1S)-2-[(2S)-2-[[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-Oxomethyl]Butyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[2-[[(2S)-1-Alanylpyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-4-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[(2S)-2-[[(1S)-1-(Benzyl)-2-Hydroxy-2-Keto-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1-(4H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₆₀H₈₆N₁₆O₁₅
• Molecular Weight: 1271.44
• CAS Registry Number: 72007-47-7
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]2N(CCC2)C(=O)[C@@H](N)C)CC(O)=O)CCCN=C(N)N)[C@H](CC)C)CC3=CC=C(O)C=C3)C(C)C)CC4N=CN=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(O)=O
• InChI: 1S/C60H86N16O15/c1-6-33(4)49(74-50(81)39(15-10-22-65-60(62)63)69-51(82)41(28-47(79)80)68-46(78)30-66-53(84)44-16-11-23-75(44)57(88)34(5)61)56(87)70-40(25-36-18-20-38(77)21-19-36)52(83)73-48(32(2)3)55(86)71-42(27-37-29-64-31-67-37)58(89)76-24-12-17-45(76)54(85)72-43(59(90)91)26-35-13-8-7-9-14-35/h7-9,13-14,18-21,29,31-34,37,39-45,48-49,77H,6,10-12,15-17,22-28,30,61H2,1-5H3,(H,66,84)(H,68,78)(H,69,82)(H,70,87)(H,71,86)(H,72,85)(H,73,83)(H,74,81)(H,79,80)(H,90,91)(H4,62,63,65)/t33-,34-,37?,39-,40-,41-,42-,43-,44-,45-,48-,49-/m0/s1
• InChIKey: GXYZOEYEQZDXJK-JPGDYHFISA-N

Properties

• Density: 1.464g/cm³ (Cal.)