Chem
J-GLOBAL ID：200907065696397656
Nikkaji number：J2.444.902E
Nα-[[(3S)-3α-[4-(N-Acetyl-Nle-Ala-amino)butyl]-2,5(3H,4H)-dioxo-1H-1,4-benzodiazepine-4-yl]acetyl]-Arg-3-(2-naphthyl)-Ala-NH2
Nα-[[(3S)-3α-[4-(N-アセチル-Nle-Ala-アミノ)ブチル]-2,5(3H,4H)-ジオキソ-1H-1,4-ベンゾジアゼピン-4-イル]アセチル]-Arg-3-(2-ナフチル)-Ala-NH2
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： C45H61N11O8
Molecular formula furigana： C45-H61-N11-O8
Molecular weight： 884.052
InChI：
InChI=1S/C45H61N11O8/c1-4-5-16-34(52-28(3)57)41(61)51-27(2)40(60)49-22-11-10-19-37-43(63)54-33-17-9-8-15-32(33)44(64)56(37)26-38(58)53-35(18-12-23-50-45(47)48)42(62)55-36(39(46)59)25-29-20-21-30-13-6-7-14-31(30)24-29/h6-9,13-15,17,20-21,24,27,34-37H,4-5,10-12,16,18-19,22-23,25-26H2,1-3H3,(H2,46,59)(H,49,60)(H,51,61)(H,52,57)(H,53,58)(H,54,63)(H,55,62)(H4,47,48,50)/t27-,34-,35-,36-,37-/m0/s1
InChI key：
HSVQVEBCXMVFOX-WMENYLNASA-N
SMILES：
CCCC[C@H](NC(=O)C)C(=O)N[C@@H](C)C(=O)NCCCC[C@@H]1N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N)C(=O)c2ccccc2NC1=O
Systematic name (3)：
- Nα-[[(3S)-3α-[4-(N-アセチル-Nle-Ala-アミノ)ブチル]-2,5(3H,4H)-ジオキソ-1H-1,4-ベンゾジアゼピン-4-イル]アセチル]-Arg-3-(2-ナフチル)-Ala-NH2
- (2S)-N-[(1S)-1-({4-[(3S)-4-({[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-カルバモイル-2-(ナフタレン-2-イル)エチル]カルバモイル}ブチル]カルバモイル}メチル)-2,5-ジオキソ-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-3-イル]ブチル}カルバモイル)エチル]-2-アセトアミドヘキサンアミド
- (2S)-N-[(1S)-1-({4-[(3S)-4-({[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(naphthalen-2-yl)ethyl]carbamoyl}butyl]carbamoyl}methyl)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]butyl}carbamoyl)ethyl]-2-acetamidohexanamide
- Nα-[[(3S)-3α-[4-(N-Acetyl-Nle-Ala-amino)butyl]-2,5(3H,4H)-dioxo-1H-1,4-benzodiazepine-4-yl]acetyl]-Arg-3-(2-naphthyl)-Ala-NH2
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