| CID | 146675088 |
|---|---|
| CAS | 1627580-64-6 |
| InChI | InChI=1S/C101H152N28O22S2/c1-7-57(4)83(96(148)126-76(50-58-19-9-8-10-20-58)92(144)127-78(52-60-30-34-63(131)35-31-60)97(149)129-46-18-27-79(129)95(147)122-69(25-16-44-112-100(107)108)86(138)118-67(23-13-14-42-102)87(139)124-74(49-56(2)3)91(143)123-73(98(150)151)26-17-45-113-101(109)110)128-94(146)75(51-59-28-32-62(130)33-29-59)116-81(133)55-115-85(137)72(41-48-153-6)121-90(142)71(37-39-82(134)135)119-89(141)70(36-38-80(104)132)120-93(145)77(53-61-54-114-66-22-12-11-21-64(61)66)125-88(140)68(24-15-43-111-99(105)106)117-84(136)65(103)40-47-152-5/h8-12, 19-22, 28-35, 54, 56-57, 65, 67-79, 83, 114, 130-131H, 7, 13-18, 23-27, 36-53, 55, 102-103H2, 1-6H3, (H2, 104, 132)(H, 115, 137)(H, 116, 133)(H, 117, 136)(H, 118, 138)(H, 119, 141)(H, 120, 145)(H, 121, 142)(H, 122, 147)(H, 123, 143)(H, 124, 139)(H, 125, 140)(H, 126, 148)(H, 127, 144)(H, 128, 146)(H, 134, 135)(H, 150, 151)(H4, 105, 106, 111)(H4, 107, 108, 112)(H4, 109, 110, 113)/t57-, 65-, 67-, 68-, 69-, 70-, 71-, 72-, 73-, 74-, 75-, 76-, 77-, 78-, 79-, 83-/m0/s1 |
| IUPAC Name | (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-1-[[(2S, 3S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid |
| Molecular Formula | C101H152N28O22S2 |
| Molecular Weight | 2174.6 |
| Monoisotopic Mass | 2173.1077409 |
| Polar Area | 890 |
| Complexity | 4510 |
| XLogP | -3.9 |
| Heavy Atom Count | 153 |
| Hydrogen Bond Donor Count | 31 |
| Hydrogen Bond Acceptor Count | 29 |
| Rotatable Bond Count | 73 |
| Physical Appearance | Fine White Lyophilized Powder |
| Stability | Lyophilized protein is to be stored at -20°C. It is recommended to aliquot the reconstituted (dissolved) protein into several discrete vials in order to avoid repeated freezing and thawing. Reconstituted protein can be stored at 4°C |



