Chem
J-GLOBAL ID：200907016964018395
Nikkaji number：J581.269K
Ac-L-Cys(1)-L-Arg-Gly-L-Asp-[2-Mercapto(1)phenyl]NH2
Ac-L-Cys(1)-L-Arg-Gly-L-Asp-[2-メルカプト(1)フェニル]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： C23H32N8O7S2
Molecular formula furigana： C23-H32-N8-O7-S2
Molecular weight： 596.680
InChI：
InChI=1S/C23H32N8O7S2/c1-12(32)28-16-11-39-40-17-7-3-2-5-13(17)30-21(37)15(9-19(34)35)29-18(33)10-27-20(36)14(31-22(16)38)6-4-8-26-23(24)25/h2-3,5,7,14-16H,4,6,8-11H2,1H3,(H,27,36)(H,28,32)(H,29,33)(H,30,37)(H,31,38)(H,34,35)(H4,24,25,26)/t14-,15?,16?/m0/s1
InChI key：
WCNVKZMMWSNHOH-FHERZECASA-N
SMILES：
CC(=O)NC1CSSc2ccccc2NC(=O)C(CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O
Systematic name (3)：
- Ac-L-Cys(1)-L-Arg-Gly-L-Asp-[2-メルカプト(1)フェニル]NH2
- 2-[(4R,7S,13S)-7-(3-カルバムイミドアミドプロピル)-4-アセトアミド-5,8,11,14-テトラオキソ-4,5,6,7,8,9,10,11,12,13,14,15-ドデカヒドロ-3H-1,2,6,9,12,15-ベンゾジチアテトラザシクロヘプタデシン-13-イル]酢酸
- 2-[(4R,7S,13S)-7-(3-carbamimidamidopropyl)-4-acetamido-5,8,11,14-tetraoxo-4,5,6,7,8,9,10,11,12,13,14,15-dodecahydro-3H-1,2,6,9,12,15-benzodithiatetrazacycloheptadecin-13-yl]acetic acid
- Ac-L-Cys(1)-L-Arg-Gly-L-Asp-[2-Mercapto(1)phenyl]NH2
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