Chem
J-GLOBAL ID：200907006839554018
Nikkaji number：J1.262.580D
Lys-Asn-Asn-Gln-Lys-Ser-Glu-Pro-Leu-Ile-Gly-Arg-Lys-Lys-Thr-OH
Lys-Asn-Asn-Gln-Lys-Ser-Glu-Pro-Leu-Ile-Gly-Arg-Lys-Lys-Thr-OH
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： C74H133N25O23
Molecular formula furigana： C74-H133-N25-O23
Molecular weight： 1741.030
InChI：
InChI=1S/C74H133N25O23/c1-6-39(4)58(71(119)86-36-56(105)87-42(21-15-31-85-74(83)84)61(109)88-43(18-8-12-28-76)62(110)90-45(20-10-14-30-78)65(113)98-59(40(5)101)73(121)122)97-68(116)48(33-38(2)3)95-70(118)52-22-16-32-99(52)72(120)47(24-26-57(106)107)92-69(117)51(37-100)96-63(111)44(19-9-13-29-77)89-64(112)46(23-25-53(80)102)91-66(114)50(35-55(82)104)94-67(115)49(34-54(81)103)93-60(108)41(79)17-7-11-27-75/h38-52,58-59,100-101H,6-37,75-79H2,1-5H3,(H2,80,102)(H2,81,103)(H2,82,104)(H,86,119)(H,87,105)(H,88,109)(H,89,112)(H,90,110)(H,91,114)(H,92,117)(H,93,108)(H,94,115)(H,95,118)(H,96,111)(H,97,116)(H,98,113)(H,106,107)(H,121,122)(H4,83,84,85)/t39-,40+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,58-,59-/m0/s1
InChI key：
ZOAMLYRGMMOBAS-GDMZPDKKSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O
Systematic name (3)：
- Lys-Asn-Asn-Gln-Lys-Ser-Glu-Pro-Leu-Ile-Gly-Arg-Lys-Lys-Thr-OH
- (4S)-5-[(2S)-2-{[(1S)-1-{[(1S,2S)-1-[({[(1S)-1-{[(1S)-5-アミノ-1-{[(1S)-5-アミノ-1-{[(1S,2R)-1-カルボキシ-2-ヒドロキシプロピル]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}-4-カルバムイミドアミドブチル]カルバモイル}メチル)カルバモイル]-2-メチルブチル]カルバモイル}-3-メチルブチル]カルバモイル}ピロリジン-1-イル]-4-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-4-カルバモイル-2-[(2S)-3-カルバモイル-2-[(2S)-3-カルバモイル-2-[(2S)-2,6-ジアミノヘキサンアミド]プロパンアミド]プロパンアミド]ブタンアミド]ヘキサンアミド]-3-ヒドロキシプロパンアミド]-5-オキソペンタン酸
- (4S)-5-[(2S)-2-{[(1S)-1-{[(1S,2S)-1-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-4-[(2S)-2-[(2S)-6-amino-2-[(2S)-4-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-2,6-diaminohexanamido]propanamido]propanamido]butanamido]hexanamido]-3-hydroxypropanamido]-5-oxopentanoic acid
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