Chem
J-GLOBAL ID：200907009615169320   Nikkaji number：J396.163J

[Deamino1,D-Phe3,D-Arg8]vasopressin

[デアミノ1,D-Phe3,D-Arg8]バソプレッシン
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： C46H64N14O12S2
Molecular formula furigana： C46-H64-N14-O12-S2
Molecular weight： 1069.220
InChI： InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29?,30?,31-,32?,33+,34+/m1/s1
InChI key： NFLWUMRGJYTJIN-SYKDFMHSSA-N
SMILES： NC(=O)CCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)C(CC(=O)N)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N
Systematic name  (3)：
  • 2-デアミノ-L-Cys(1)-L-Tyr-D-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-D-Arg-Gly-NH2
  • (2R)-2-{[(2S)-1-[(4R,7S,10S,13R,16S)-13-ベンジル-10-(2-カルバモイルエチル)-7-(カルバモイルメチル)-16-[(4-ヒドロキシフェニル)メチル]-6,9,12,15,18-ペンタオキソ-1,2-ジチア-5,8,11,14,17-ペンタアザシクロイコサン-4-カルボニル]ピロリジン-2-イル]ホルムアミド}-5-カルバムイミドアミド-N-(カルバモイルメチル)ペンタンアミド
  • (2R)-2-{[(2S)-1-[(4R,7S,10S,13R,16S)-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide
Other name (3)：
  • [デアミノ1,D-Phe3,D-Arg8]バソプレッシン
  • [Deamino1,D-Phe3,D-Arg8]vasopressin
  • 2-Deamino-L-Cys(1)-L-Tyr-D-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-D-Arg-Gly-NH2
Thsaurus map：
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