Chem
J-GLOBAL ID：200907011431064784   Nikkaji number：J687.203D

N-Acetyl-3-(2-naphthyl)-D-Ala-4-chloro-D-Phe-3-(3-pyridyl)-D-Ala-L-Ser-4-(propionylamino)-L-Phe-4-(propionylamino)-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-(プロピオニルアミノ)-L-Phe-4-(プロピオニルアミノ)-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： C82H106ClN15O14
Molecular formula furigana： C82-H106-CL-N15-O14
Molecular weight： 1561.290
InChI： InChI=1S/C82H106ClN15O14/c1-9-71(101)89-60-32-25-53(26-33-60)42-66(76(106)92-63(39-48(3)4)74(104)91-62(20-13-14-37-86-49(5)6)82(112)98-38-16-21-70(98)81(111)87-50(7)73(84)103)94-78(108)67(43-54-27-34-61(35-28-54)90-72(102)10-2)96-80(110)69(47-99)97-79(109)68(45-56-17-15-36-85-46-56)95-77(107)65(41-52-23-30-59(83)31-24-52)93-75(105)64(88-51(8)100)44-55-22-29-57-18-11-12-19-58(57)40-55/h11-12,15,17-19,22-36,40,46,48-50,62-70,86,99H,9-10,13-14,16,20-21,37-39,41-45,47H2,1-8H3,(H2,84,103)(H,87,111)(H,88,100)(H,89,101)(H,90,102)(H,91,104)(H,92,106)(H,93,105)(H,94,108)(H,95,107)(H,96,110)(H,97,109)/t50-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1
InChI key： MJMAEWNOFSFTFH-OUPPYNCOSA-N
SMILES： CCC(=O)Nc1ccc(C[C@@H](NC(=O)[C@H](Cc2ccc(NC(=O)CC)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)N)cc1
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-(プロピオニルアミノ)-L-Phe-4-(プロピオニルアミノ)-D-Phe-L-Leu-N6-(1-メチルエチル)-L-Lys-L-Pro-D-Ala-NH2
  • (2S)-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]-2-[(2R)-2-[(2S)-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]-3-(4-プロパンアミドフェニル)プロパンアミド]-3-(4-プロパンアミドフェニル)プロパンアミド]-4-メチルペンタンアミド
  • (2S)-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-2-[(2R)-2-[(2S)-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]-3-(4-propanamidophenyl)propanamido]-3-(4-propanamidophenyl)propanamido]-4-methylpentanamide
Other name (1)：
  • N-Acetyl-3-(2-naphthyl)-D-Ala-4-chloro-D-Phe-3-(3-pyridyl)-D-Ala-L-Ser-4-(propionylamino)-L-Phe-4-(propionylamino)-D-Phe-L-Leu-N6-(1-methylethyl)-L-Lys-L-Pro-D-Ala-NH2
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM