Chem
J-GLOBAL ID:200907077128565216   Nikkaji number:J2.775.245D

Monochloro-monoglutathionyl melphalan

モノクロロモノグルタチオニルメルファラン
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: C23H34ClN5O8S
Molecular formula furigana: C23-H34-CL-N5-O8-S
Molecular weight: 576.060
InChI: InChI=1S/C23H34ClN5O8S/c24-7-8-29(15-3-1-14(2-4-15)11-17(26)23(36)37)9-10-38-13-18(21(33)27-12-20(31)32)28-19(30)6-5-16(25)22(34)35/h1-4,16-18H,5-13,25-26H2,(H,27,33)(H,28,30)(H,31,32)(H,34,35)(H,36,37)/t16-,17-,18-/m0/s1
InChI key: FVSFUWLXGAPZDK-BZSNNMDCSA-N
SMILES: N[C@@H](CCC(=O)N[C@@H](CSCCN(CCCl)c1ccc(C[C@H](N)C(=O)O)cc1)C(=O)NCC(=O)O)C(=O)O
Systematic name  (3):
  • L-γGlu-S-[2-[[4-[(2S)-2-アミノ-2-カルボキシエチル]フェニル](2-クロロエチル)アミノ]エチル]-L-Cys-Gly-OH
  • (2S)-2-アミノ-4-{[(1R)-2-{[2-({4-[(2S)-2-アミノ-2-カルボキシエチル]フェニル}(2-クロロエチル)アミノ)エチル]スルファニル}-1-[(カルボキシメチル)カルバモイル]エチル]カルバモイル}ブタン酸
  • (2S)-2-amino-4-{[(1R)-2-{[2-({4-[(2S)-2-amino-2-carboxyethyl]phenyl}(2-chloroethyl)amino)ethyl]sulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
Other name (3):
  • L-γGlu-S-[2-[[4-[(2S)-2-Amino-2-carboxyethyl]phenyl](2-chloroethyl)amino]ethyl]-L-Cys-Gly-OH
  • Monochloro-monoglutathionyl melphalan
  • モノクロロモノグルタチオニルメルファラン
CAS registry number: 105554-27-6
KEGG COMPOUND: C11603
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