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
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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:
C32 H51 N5 O5
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
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