Chem
J-GLOBAL ID:200907015472415040
Nikkaji number:J355.523B
AR-299 (rat)
AR-299【ラット】
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Substance type:
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
Molecular formula:
C64 H97 N15 O25
Molecular formula furigana:
C64-H97-N15-O25
Molecular weight:
1476.560
InChI:
InChI=1S/C64H97N15O25/c1-32(69-62(101)52(34(3)83)79-57(96)41(21-24-50(90)91)71-55(94)40(20-23-49(88)89)72-63(102)51(33(2)82)78-47(85)29-68-54(93)38(67)13-7-9-25-65)53(92)70-39(19-22-48(86)87)56(95)74-44(28-36-15-17-37(84)18-16-36)59(98)76-46(31-81)61(100)77-45(30-80)60(99)75-43(27-35-11-5-4-6-12-35)58(97)73-42(64(103)104)14-8-10-26-66/h4-6,11-12,15-18,32-34,38-46,51-52,80-84H,7-10,13-14,19-31,65-67H2,1-3H3,(H,68,93)(H,69,101)(H,70,92)(H,71,94)(H,72,102)(H,73,97)(H,74,95)(H,75,99)(H,76,98)(H,77,100)(H,78,85)(H,79,96)(H,86,87)(H,88,89)(H,90,91)(H,103,104)/t32-,33+,34+,38-,39-,40-,41-,42-,43-,44-,45-,46-,51-,52-/m0/s1
InChI key:
SQRMNCUQUPUPDJ-MXXACDPKSA-N
SMILES:
C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name (3):
L-Lys-Gly-L-Thr-L-Glu-L-Glu-L-Thr-L-Ala-L-Glu-L-Tyr-L-Ser-L-Ser-L-Phe-L-Lys-OH
(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-4-カルボキシ-2-[(2S)-2-[(2S,3R)-2-[(2S)-4-カルボキシ-2-[(2S)-4-カルボキシ-2-[(2S,3R)-2-{2-[(2S)-2,6-ジアミノヘキサンアミド]アセトアミド}-3-ヒドロキシブタンアミド]ブタンアミド]ブタンアミド]-3-ヒドロキシブタンアミド]プロパンアミド]ブタンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-3-ヒドロキシプロパンアミド]-3-ヒドロキシプロパンアミド]-3-フェニルプロパンアミド]ヘキサン酸
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-2-[(2S,3R)-2-[(2S)-4-carboxy-2-[(2S)-4-carboxy-2-[(2S,3R)-2-{2-[(2S)-2,6-diaminohexanamido]acetamido}-3-hydroxybutanamido]butanamido]butanamido]-3-hydroxybutanamido]propanamido]butanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-phenylpropanamido]hexanoic acid
Other name (4):
rat AR 299-311
Rat androgen receptor 299-311
AR-299【rat】
AR-299【ラット】
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