N-acetyl-L-cysteinyl-L-a-glutamyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-L-cysteinyl-L-lysyl-L-prolyl-L-Valinamide cyclic (1->7)-disulfide
[CAS# 91050-39-4]

Identification

• Name: N-acetyl-L-cysteinyl-L-a-glutamyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-L-cysteinyl-L-lysyl-L-prolyl-L-Valinamide cyclic (1->7)-disulfide
• Synonyms: AC-CYS-GLU-HIS-D-PHE-ARG-TRP-CYS-LYS-PRO-VAL-NH2; L-Valinamide, N²-[[(4S,7S,10S,13R,16S,19S,22R)-22-(acetylamino)-10-[3-[(aminoiminomethyl)amino]propyl]-19-(2-carboxyethyl)-16-(1H-imidazol-4-ylmethyl)-7-(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo -13-(phenylmethyl)-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricos-4-yl]carbonyl]-L-lysyl-L-prolyl-; N²-{[(4S,7S,10S,13R,16S,19S,22R)-22-Acetamido-13-benzyl-10-(3-carbamimidamidopropyl)-19-(2-carboxyethyl)-16-(1H-imidazol-4-ylmethyl)-7-(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11 ,14,17,20-hexaazacyclotricosan-4-yl]carbonyl}-L-lysyl-L-prolyl-L-valinamid
• Molecular Formula: C₆₁H₈₆N₁₈O₁₃S₂
• Molecular Weight: 1343.58
• CAS Registry Number: 91050-39-4
• SMILES: CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H]2CSSC[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)N2)Cc3c[nH]c4c3cccc4)CCCNC(=N)N)Cc5ccccc5)Cc6c[nH]cn6)CCC(=O)O)NC(=O)C
• InChI: 1S/C61H86N18O13S2/c1-33(2)50(51(63)83)78-59(91)48-19-12-24-79(48)60(92)42(17-9-10-22-62)73-58(90)47-31-94-93-30-46(70-34(3)80)57(89)72-41(20-21-49(81)82)53(85)76-45(27-37-29-66-32-69-37)56(88)74-43(25-35-13-5-4-6-14-35)54(86)71-40(18-11-23-67-61(64)65)52(84)75-44(55(87)77-47)26-36-28-68-39-16-8-7-15-38(36)39/h4-8,13-16,28-29,32-33,40-48,50,68H,9-12,17-27,30-31,62H2,1-3H3,(H2,63,83)(H,66,69)(H,70,80)(H,71,86)(H,72,89)(H,73,90)(H,74,88)(H,75,84)(H,76,85)(H,77,87)(H,78,91)(H,81,82)(H4,64,65,67)/t40-,41-,42-,43+,44-,45-,46-,47+,48-,50-/m0/s1
• InChIKey: YJLHIGSOJAOBEV-JOSJQWLESA-N
• Protein Sequence: Ac-Cys-Glu-His-D-Phe-Arg-Trp-Cys-Lys-Pro-Val-NH2

Properties

• Density: 1.5±0.1g/cm³ (Cal.)