Chem
J-GLOBAL ID：200907065126354066   Nikkaji number：J687.201H

N-Acetyl-3-(2-naphthyl)-D-Ala-4-chloro-D-Phe-3-(3-pyridyl)-D-Ala-L-Ser-4-amino-L-Phe-4-amino-D-Phe-L-Leu-N6-(1-methylethyl)-L-Lys-L-Pro-D-Ala-NH2

N-アセチル-3-(2-ナフチル)-D-Ala-4-クロロ-D-Phe-3-(3-ピリジル)-D-Ala-L-Ser-4-アミノ-L-Phe-4-アミノ-D-Phe-L-Leu-N6-(1-メチルエチル)-L-Lys-L-Pro-D-Ala-NH2
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： C76H98ClN15O12
Molecular formula furigana： C76-H98-CL-N15-O12
Molecular weight： 1449.160
InChI： InChI=1S/C76H98ClN15O12/c1-44(2)35-59(68(96)85-58(16-9-10-33-82-45(3)4)76(104)92-34-12-17-66(92)75(103)83-46(5)67(80)95)86-70(98)62(38-49-21-28-56(78)29-22-49)88-72(100)63(39-50-23-30-57(79)31-24-50)90-74(102)65(43-93)91-73(101)64(41-52-13-11-32-81-42-52)89-71(99)61(37-48-19-26-55(77)27-20-48)87-69(97)60(84-47(6)94)40-51-18-25-53-14-7-8-15-54(53)36-51/h7-8,11,13-15,18-32,36,42,44-46,58-66,82,93H,9-10,12,16-17,33-35,37-41,43,78-79H2,1-6H3,(H2,80,95)(H,83,103)(H,84,94)(H,85,96)(H,86,98)(H,87,97)(H,88,100)(H,89,99)(H,90,102)(H,91,101)/t46-,58+,59+,60-,61-,62-,63+,64-,65+,66+/m1/s1
InChI key： AXMJHBQHRFNGPT-ZVSGBDDQSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N
Systematic name  (3)：
  • N-アセチル-3-(2-ナフチル)-D-Ala-4-クロロ-D-Phe-3-(3-ピリジル)-D-Ala-L-Ser-4-アミノ-L-Phe-4-アミノ-D-Phe-L-Leu-N6-(1-メチルエチル)-L-Lys-L-Pro-D-Ala-NH2
  • (2S)-2-[(2R)-3-(4-アミノフェニル)-2-[(2S)-3-(4-アミノフェニル)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-クロロフェニル)-2-[(2R)-2-アセトアミド-3-(ナフタレン-2-イル)プロパンアミド]プロパンアミド]-3-(ピリジン-3-イル)プロパンアミド]-3-ヒドロキシプロパンアミド]プロパンアミド]プロパンアミド]-N-[(2S)-1-[(2S)-2-{[(1R)-1-カルバモイルエチル]カルバモイル}ピロリジン-1-イル]-1-オキソ-6-[(プロパン-2-イル)アミノ]ヘキサン-2-イル]-4-メチルペンタンアミド
  • (2S)-2-[(2R)-3-(4-aminophenyl)-2-[(2S)-3-(4-aminophenyl)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]propanamido]propanamido]-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanamide
Other name (1)：
  • N-Acetyl-3-(2-naphthyl)-D-Ala-4-chloro-D-Phe-3-(3-pyridyl)-D-Ala-L-Ser-4-amino-L-Phe-4-amino-D-Phe-L-Leu-N6-(1-methylethyl)-L-Lys-L-Pro-D-Ala-NH2
Thsaurus map：
Thesaurus Map

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