Chem
J-GLOBAL ID：200907093940276975   Nikkaji number：J55.735H

L-Cys(1)-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Lys-Gly-N-(Gly-Gly-Gly-)-NH2

L-Cys(1)-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Lys-Gly-N-(Gly-Gly-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： C52H74N16O15S2
Molecular formula furigana： C52-H74-N16-O15-S2
Molecular weight： 1227.380
InChI： InChI=1S/C52H74N16O15S2/c53-17-5-4-9-32(46(77)60-25-44(75)67-43(74)24-59-42(73)23-58-41(72)22-54)62-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-31(55)45(76)63-34(20-29-11-13-30(69)14-12-29)49(80)64-35(19-28-7-2-1-3-8-28)48(79)61-33(15-16-39(56)70)47(78)65-36(21-40(57)71)50(81)66-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-55H2,(H2,56,70)(H2,57,71)(H,58,72)(H,59,73)(H,60,77)(H,61,79)(H,62,82)(H,63,76)(H,64,80)(H,65,78)(H,66,81)(H,67,74,75)/t31-,32-,33-,34?,35-,36?,37?,38-/m0/s1
InChI key： QRJRYQQVTRUYPE-BBSMKSJUSA-N
SMILES： NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CSSC[C@H](N)C(=O)NC(Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N1)C(=O)NCC(=O)NC(=O)CNC(=O)CNC(=O)CN
Systematic name  (3)：
  • L-Cys(1)-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Lys-Gly-N-(Gly-Gly-Gly-)-NH2
  • (2S)-6-アミノ-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-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}-N-[({2-[2-(2-アミノアセトアミド)アセトアミド]アセチル}カルバモイル)メチル]ヘキサンアミド
  • (2S)-6-amino-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-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}-N-[({2-[2-(2-aminoacetamido)acetamido]acetyl}carbamoyl)methyl]hexanamide
KEGG DRUG： D06672
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