Chem
J-GLOBAL ID：200907034988967094   Nikkaji number：J2.444.897E

Nα-[[(3S)-3α-[4-(N-Acetyl-Nle-Ala-amino)butyl]-2,5(3H,4H)-dioxo-7-methyl-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-7-メチル-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
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： C46H63N11O8
Molecular formula furigana： C46-H63-N11-O8
Molecular weight： 898.079
InChI： InChI=1S/C46H63N11O8/c1-5-6-14-35(53-29(4)58)42(62)52-28(3)41(61)50-21-10-9-16-38-44(64)55-34-20-17-27(2)23-33(34)45(65)57(38)26-39(59)54-36(15-11-22-51-46(48)49)43(63)56-37(40(47)60)25-30-18-19-31-12-7-8-13-32(31)24-30/h7-8,12-13,17-20,23-24,28,35-38H,5-6,9-11,14-16,21-22,25-26H2,1-4H3,(H2,47,60)(H,50,61)(H,52,62)(H,53,58)(H,54,59)(H,55,64)(H,56,63)(H4,48,49,51)/t28-,35-,36-,37-,38-/m0/s1
InChI key： NBQUHHFWBKNHOD-ZAJNOJRFSA-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)c2cc(C)ccc2NC1=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-7-メチル-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)-7-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)-7-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]butyl}carbamoyl)ethyl]-2-acetamidohexanamide
Other name (1)：
  • Nα-[[(3S)-3α-[4-(N-Acetyl-Nle-Ala-amino)butyl]-2,5(3H,4H)-dioxo-7-methyl-1H-1,4-benzodiazepine-4-yl]acetyl]-Arg-3-(2-naphthyl)-Ala-NH2
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