Chem
J-GLOBAL ID:200907062305046570
Nikkaji number:J453.962A
(2S,4S,5S)-N-Isobutyl-5-[[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino]-2-(3-aminopropyl)-4-hydroxy-7-methyloctanamide
(2S,4S,5S)-N-イソブチル-5-[[N-[N-ベンジルオキシカルボニル-3-(1-ナフチル)-L-アラニル]-L-ノルロイシル]アミノ]-2-(3-アミノプロピル)-4-ヒドロキシ-7-メチルオクタンアミド
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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:
C43 H63 N5 O6
Molecular formula furigana:
C43-H63-N5-O6
Molecular weight:
746.006
InChI:
InChI=1S/C43H63N5O6/c1-6-7-22-36(41(51)47-37(24-29(2)3)39(49)26-34(20-14-23-44)40(50)45-27-30(4)5)46-42(52)38(48-43(53)54-28-31-15-9-8-10-16-31)25-33-19-13-18-32-17-11-12-21-35(32)33/h8-13,15-19,21,29-30,34,36-39,49H,6-7,14,20,22-28,44H2,1-5H3,(H,45,50)(H,46,52)(H,47,51)(H,48,53)/t34-,36-,37-,38-,39-/m0/s1
InChI key:
YIOSYWHABGHXSD-VNMWMSJCSA-N
SMILES:
CCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@H](CCCN)C(=O)NCC(C)C
Systematic name (3):
(2S,4S,5S)-N-イソブチル-5-[[N-[N-ベンジルオキシカルボニル-3-(1-ナフチル)-L-アラニル]-L-ノルロイシル]アミノ]-2-(3-アミノプロピル)-4-ヒドロキシ-7-メチルオクタンアミド
ベンジル N-[(1S)-1-{[(1S)-1-{[(1S,3S,4S)-1-(3-アミノプロピル)-3-ヒドロキシ-6-メチル-1-[(2-メチルプロピル)カルバモイル]ヘプタン-4-イル]カルバモイル}ペンチル]カルバモイル}-2-(ナフタレン-1-イル)エチル]カルバマート
benzyl N-[(1S)-1-{[(1S)-1-{[(1S,3S,4S)-1-(3-aminopropyl)-3-hydroxy-6-methyl-1-[(2-methylpropyl)carbamoyl]heptan-4-yl]carbamoyl}pentyl]carbamoyl}-2-(naphthalen-1-yl)ethyl]carbamate
Other name (1):
(2S,4S,5S)-N-Isobutyl-5-[[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino]-2-(3-aminopropyl)-4-hydroxy-7-methyloctanamide
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