Chem
J-GLOBAL ID：200907049844478487
Nikkaji number：J764.505H
N2-Isonicotinoyl-D-Gln-L-Val-L-Val-L-Ala-L-Ala-(4-nitrophenyl)NH2
N2-イソニコチノイル-D-Gln-L-Val-L-Val-L-Ala-L-Ala-(4-ニトロフェニル)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： C33H45N8[N+]O8[O-]
Molecular formula furigana： C33-H45-N9-O9
Molecular weight： 711.777
InChI：
InChI=1S/C33H45N9O9/c1-17(2)26(32(48)37-19(5)28(44)36-20(6)29(45)38-22-7-9-23(10-8-22)42(50)51)41-33(49)27(18(3)4)40-31(47)24(11-12-25(34)43)39-30(46)21-13-15-35-16-14-21/h7-10,13-20,24,26-27H,11-12H2,1-6H3,(H2,34,43)(H,36,44)(H,37,48)(H,38,45)(H,39,46)(H,40,47)(H,41,49)/t19-,20-,24+,26-,27-/m0/s1
InChI key：
UWIURAWTGQJHHT-LLAAXIDTSA-N
SMILES：
CC(C)[C@H](NC(=O)[C@@H](CCC(=O)N)NC(=O)c1ccncc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Systematic name (3)：
- N2-イソニコチノイル-D-Gln-L-Val-L-Val-L-Ala-L-Ala-(4-ニトロフェニル)NH2
- (2R)-N-[(1S)-2-メチル-1-{[(1S)-2-メチル-1-{[(1S)-1-{[(1S)-1-[(4-ニトロフェニル)カルバモイル]エチル]カルバモイル}エチル]カルバモイル}プロピル]カルバモイル}プロピル]-2-[(ピリジン-4-イル)ホルムアミド]ペンタンジアミド
- (2R)-N-[(1S)-2-methyl-1-{[(1S)-2-methyl-1-{[(1S)-1-{[(1S)-1-[(4-nitrophenyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}propyl]-2-[(pyridin-4-yl)formamido]pentanediamide
- N2-Isonicotinoyl-D-Gln-L-Val-L-Val-L-Ala-L-Ala-(4-nitrophenyl)NH2
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