Chem
J-GLOBAL ID：200907068504212282
Nikkaji number：J1.939.794G
Lys-Trp-Lys-Lys-Leu-Leu-Lys-Lys-Pro-Leu-Leu-Lys-Lys-Leu-Leu-Lys-Lys-Leu-NH2
Lys-Trp-Lys-Lys-Leu-Leu-Lys-Lys-Pro-Leu-Leu-Lys-Lys-Leu-Leu-Lys-Lys-Leu-NH2
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C112H205N29O18
Molecular formula furigana： C112-H205-N29-O18
Molecular weight： 2246.057
InChI：
InChI=1S/C112H205N29O18/c1-67(2)58-86(95(123)142)133-101(148)82(43-22-31-53-118)125-97(144)78(39-18-27-49-114)128-104(151)87(59-68(3)4)137-107(154)90(62-71(9)10)135-102(149)83(44-23-32-54-119)126-98(145)79(40-19-28-50-115)129-105(152)89(61-70(7)8)139-109(156)92(64-73(13)14)140-111(158)94-47-35-57-141(94)112(159)85(46-25-34-56-121)132-100(147)81(42-21-30-52-117)130-106(153)88(60-69(5)6)138-108(155)91(63-72(11)12)136-103(150)84(45-24-33-55-120)127-99(146)80(41-20-29-51-116)131-110(157)93(134-96(143)76(122)37-17-26-48-113)65-74-66-124-77-38-16-15-36-75(74)77/h15-16,36,38,66-73,76,78-94,124H,17-35,37,39-65,113-122H2,1-14H3,(H2,123,142)(H,125,144)(H,126,145)(H,127,146)(H,128,151)(H,129,152)(H,130,153)(H,131,157)(H,132,147)(H,133,148)(H,134,143)(H,135,149)(H,136,150)(H,137,154)(H,138,155)(H,139,156)(H,140,158)/t76-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-/m0/s1
InChI key：
MAUAKKFRDLUGSI-NIQGTIORSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N
Systematic name (3)：
- Lys-Trp-Lys-Lys-Leu-Leu-Lys-Lys-Pro-Leu-Leu-Lys-Lys-Leu-Leu-Lys-Lys-Leu-NH2
- (2S)-6-アミノ-N-[(1S)-1-{[(1S)-1-{[(1S)-5-アミノ-1-{[(1S)-5-アミノ-1-{[(1S)-1-カルバモイル-3-メチルブチル]カルバモイル}ペンチル]カルバモイル}ペンチル]カルバモイル}-3-メチルブチル]カルバモイル}-3-メチルブチル]-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-アミノ-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2,6-ジアミノヘキサンアミド]-3-(1H-インドール-3-イル)プロパンアミド]ヘキサンアミド]ヘキサンアミド]-4-メチルペンタンアミド]-4-メチルペンタンアミド]ヘキサンアミド]ヘキサノイル]ピロリジン-2-イル]ホルムアミド}-4-メチルペンタンアミド]-4-メチルペンタンアミド]ヘキサンアミド]ヘキサンアミド
- (2S)-6-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]hexanamido]-4-methylpentanamido]-4-methylpentanamido]hexanamido]hexanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-methylpentanamido]hexanamido]hexanamide
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