Chem
J-GLOBAL ID:200907007551202822
Nikkaji number:J455.399C
(4S,5S)-N-Isobutyl-5-[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino-4-hydroxy-7-methyloctanamide
(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-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:
C40 H56 N4 O6
Molecular formula furigana:
C40-H56-N4-O6
Molecular weight:
688.910
InChI:
InChI=1S/C40H56N4O6/c1-6-7-20-33(39(48)44(25-28(4)5)35(23-27(2)3)36(45)21-22-37(41)46)42-38(47)34(43-40(49)50-26-29-14-9-8-10-15-29)24-31-18-13-17-30-16-11-12-19-32(30)31/h8-19,27-28,33-36,45H,6-7,20-26H2,1-5H3,(H2,41,46)(H,42,47)(H,43,49)/t33-,34-,35-,36-/m0/s1
InChI key:
ZRODHUDNAWYCRL-ZYADHFCISA-N
SMILES:
CCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N(CC(C)C)[C@@H](CC(C)C)[C@@H](O)CCC(=O)N
Systematic name (3):
(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-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-{[(3S,4S)-1-カルバモイル-3-ヒドロキシ-6-メチルヘプタン-4-イル](2-メチルプロピル)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-{[(3S,4S)-1-carbamoyl-3-hydroxy-6-methylheptan-4-yl](2-methylpropyl)carbamoyl}pentyl]carbamoyl}-2-(naphthalen-1-yl)ethyl]carbamate
Other name (1):
(4S,5S)-N-Isobutyl-5-[N-[N-benzyloxycarbonyl-3-(1-naphthyl)-L-alanyl]-L-norleucyl]amino-4-hydroxy-7-methyloctanamide
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