Chem
J-GLOBAL ID：200907054688636585
Nikkaji number：J1.686.653I
(3R,4S)-3-[[(3S)-3-[[Nα-[(3S)-3-(Acetylamino)-4-phenylbutyryl]-L-tryptophyl]amino]-7-aminoheptanoyl]amino]-4-hydroxypentanamide
(3R,4S)-3-[[(3S)-3-[[Nα-[(3S)-3-(アセチルアミノ)-4-フェニルブチリル]-L-トリプトフィル]アミノ]-7-アミノヘプタノイル]アミノ]-4-ヒドロキシペンタンアミド
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
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
Molecular formula： C35H49N7O6
Molecular formula furigana： C35-H49-N7-O6
Molecular weight： 663.820
InChI：
InChI=1S/C35H49N7O6/c1-22(43)30(20-32(37)45)41-33(46)18-26(12-8-9-15-36)40-35(48)31(17-25-21-38-29-14-7-6-13-28(25)29)42-34(47)19-27(39-23(2)44)16-24-10-4-3-5-11-24/h3-7,10-11,13-14,21-22,26-27,30-31,38,43H,8-9,12,15-20,36H2,1-2H3,(H2,37,45)(H,39,44)(H,40,48)(H,41,46)(H,42,47)/t22-,26-,27-,30+,31-/m0/s1
InChI key：
KHDCYTMXCLFRCQ-COJZPGRWSA-N
SMILES：
C[C@H](O)[C@@H](CC(=O)N)NC(=O)C[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H](Cc1ccccc1)NC(=O)C
Systematic name (3)：
- (3R,4S)-3-[[(3S)-3-[[Nα-[(3S)-3-(アセチルアミノ)-4-フェニルブチリル]-L-トリプトフィル]アミノ]-7-アミノヘプタノイル]アミノ]-4-ヒドロキシペンタンアミド
- (3S)-7-アミノ-N-[(2R,3S)-1-カルバモイル-3-ヒドロキシブタン-2-イル]-3-[(2S)-2-[(3S)-3-アセトアミド-4-フェニルブタンアミド]-3-(1H-インドール-3-イル)プロパンアミド]ヘプタンアミド
- (3S)-7-amino-N-[(2R,3S)-1-carbamoyl-3-hydroxybutan-2-yl]-3-[(2S)-2-[(3S)-3-acetamido-4-phenylbutanamido]-3-(1H-indol-3-yl)propanamido]heptanamide
- (3R,4S)-3-[[(3S)-3-[[Nα-[(3S)-3-(Acetylamino)-4-phenylbutyryl]-L-tryptophyl]amino]-7-aminoheptanoyl]amino]-4-hydroxypentanamide
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