Chem
J-GLOBAL ID：200907059896132070   Nikkaji number：J556.887K

SB-203238

N-[(S)-2-[[(3R)-3α-ベンジル-5-[(S)-1-(L-アラニルアミノ)エチル]-2,3,6,7-テトラヒドロ-1H-アゼピン]-1-イル]プロピオニル]-L-Val-L-Val-OMe
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： C32H51N5O5
Molecular formula furigana： C32-H51-N5-O5
Molecular weight： 585.790
InChI： InChI=1S/C32H51N5O5/c1-19(2)27(31(40)36-28(20(3)4)32(41)42-8)35-30(39)23(7)37-15-14-26(22(6)34-29(38)21(5)33)17-25(18-37)16-24-12-10-9-11-13-24/h9-13,17,19-23,25,27-28H,14-16,18,33H2,1-8H3,(H,34,38)(H,35,39)(H,36,40)/t21-,22-,23-,25+,27-,28-/m0/s1
InChI key： AAROLUGLGDXGEZ-CFILSVQKSA-N
SMILES： COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N1CCC(=C[C@@H](Cc2ccccc2)C1)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C
Systematic name  (3)：
  • N-[(S)-2-[[(3R)-3α-ベンジル-5-[(S)-1-(L-アラニルアミノ)エチル]-2,3,6,7-テトラヒドロ-1H-アゼピン]-1-イル]プロピオニル]-L-Val-L-Val-OMe
  • メチル (2S)-2-[(2S)-2-[(2S)-2-[(3R)-5-[(1S)-1-[(2S)-2-アミノプロパンアミド]エチル]-3-ベンジル-2,3,6,7-テトラヒドロ-1H-アゼピン-1-イル]プロパンアミド]-3-メチルブタンアミド]-3-メチルブタノアート
  • methyl (2S)-2-[(2S)-2-[(2S)-2-[(3R)-5-[(1S)-1-[(2S)-2-aminopropanamido]ethyl]-3-benzyl-2,3,6,7-tetrahydro-1H-azepin-1-yl]propanamido]-3-methylbutanamido]-3-methylbutanoate
Other name (2)：
  • N-[(S)-2-[[(3R)-3α-Benzyl-5-[(S)-1-(L-alanylamino)ethyl]-2,3,6,7-tetrahydro-1H-azepin]-1-yl]propionyl]-L-Val-L-Val-OMe
  • SB-203238
Thsaurus map：
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