Chem
J-GLOBAL ID：200907042680783947   Nikkaji number：J754.535E

(R)-AVP

D-Cys(1)-D-Tyr-D-Phe-D-Gln-D-Asn-D-Cys(1)-D-Pro-D-Arg-Gly-NH2
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： C46H65N15O12S2
Molecular formula furigana： C46-H65-N15-O12-S2
Molecular weight： 1084.240
InChI： InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30?,31-,32?,33-,34-/m1/s1
InChI key： KBZOIRJILGZLEJ-HLKCCINFSA-N
SMILES： N[C@@H]1CSSC[C@@H](NC(=O)C(CC(=O)N)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N
Systematic name  (3)：
  • D-Cys(1)-D-Tyr-D-Phe-D-Gln-D-Asn-D-Cys(1)-D-Pro-D-Arg-Gly-NH2
  • (2R)-2-{[(2R)-1-[(4S,7R,10R,13R,16R,19S)-19-アミノ-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-{[(2R)-1-[(4S,7R,10R,13R,16R,19S)-19-amino-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 (1)：
  • (R)-AVP
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