Chem
J-GLOBAL ID：200907045960679230
Nikkaji number：J1.282.157C
Argifin
アルギフィン
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： C29H41N9O10
Molecular formula furigana： C29-H41-N9-O10
Molecular weight： 675.700
InChI：
InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17?,18+,19+,20?/m1/s1
InChI key：
UHBHXSDKGLPPGO-JFWNRHRWSA-N
SMILES：
CNC(=O)NC(=N)NCCCC1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)C(Cc2ccccc2)N(C)C1=O)C(=O)O)C(=O)O
Systematic name (3)：
- ω-(メチルカルバモイル)シクロ(L-Arg-N-メチル-L-Phe-L-βAsp-L-βAsp-D-Ala-)
- (2R,5S,8S,11S,15S)-8-ベンジル-2,7-ジメチル-5-[3-({[(メチルカルバモイル)アミノ]メタンイミドイル}アミノ)プロピル]-3,6,9,13,17-ペンタオキソ-1,4,7,10,14-ペンタアザシクロヘプタデカン-11,15-ジカルボン酸
- (2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(methylcarbamoyl)amino]methanimidoyl}amino)propyl]-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid
- ω-(Methylcarbamoyl)cyclo(L-Arg-N-methyl-L-Phe-L-βAsp-L-βAsp-D-Ala-)
- アルギフィン
- Argifin
- アージフィン
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