Chem
J-GLOBAL ID:200907051065697800   Nikkaji number:J396.182F

L-Tyr-L-Arg-Gly-L-Trp-L-Lys-L-His-L-Trp-L-Val-L-Tyr-Gly-L-Thr-L-Cys-L-Cys-L-Pro-L-Asp-L-Thr-L-Pro-L-Tyr-L-Leu-L-Asp-OH

L-Tyr-L-Arg-Gly-L-Trp-L-Lys-L-His-L-Trp-L-Val-L-Tyr-Gly-L-Thr-L-Cys-L-Cys-L-Pro-L-Asp-L-Thr-L-Pro-L-Tyr-L-Leu-L-Asp-OH
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: C114H154N28O30S2
Molecular formula furigana: C114-H154-N28-O30-S2
Molecular weight: 2460.770
InChI: InChI=1S/C114H154N28O30S2/c1-57(2)40-77(100(158)135-84(113(171)172)48-92(152)153)129-101(159)79(43-63-28-34-69(147)35-29-63)132-108(166)88-23-15-39-142(88)112(170)95(60(6)144)140-105(163)83(47-91(150)151)133-107(165)87-22-14-38-141(87)111(169)86(55-174)137-106(164)85(54-173)136-110(168)94(59(5)143)138-90(149)53-124-98(156)78(42-62-26-32-68(146)33-27-62)134-109(167)93(58(3)4)139-104(162)81(45-65-50-122-74-19-10-8-17-71(65)74)130-103(161)82(46-66-51-119-56-125-66)131-99(157)76(20-11-12-36-115)128-102(160)80(44-64-49-121-73-18-9-7-16-70(64)73)126-89(148)52-123-97(155)75(21-13-37-120-114(117)118)127-96(154)72(116)41-61-24-30-67(145)31-25-61/h7-10,16-19,24-35,49-51,56-60,72,75-88,93-95,121-122,143-147,173-174H,11-15,20-23,36-48,52-55,115-116H2,1-6H3,(H,119,125)(H,123,155)(H,124,156)(H,126,148)(H,127,154)(H,128,160)(H,129,159)(H,130,161)(H,131,157)(H,132,166)(H,133,165)(H,134,167)(H,135,158)(H,136,168)(H,137,164)(H,138,149)(H,139,162)(H,140,163)(H,150,151)(H,152,153)(H,171,172)(H4,117,118,120)/t59-,60-,72+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,93+,94+,95+/m1/s1
InChI key: GTKZXIVRVJHDDT-OMVAWGHMSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
Systematic name  (3):
  • L-Tyr-L-Arg-Gly-L-Trp-L-Lys-L-His-L-Trp-L-Val-L-Tyr-Gly-L-Thr-L-Cys-L-Cys-L-Pro-L-Asp-L-Thr-L-Pro-L-Tyr-L-Leu-L-Asp-OH
  • (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2R)-2-[(2R)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]-5-カルバムイミドアミドペンタンアミド]アセトアミド}-3-(1H-インドール-3-イル)プロパンアミド]ヘキサンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-3-メチルブタンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]アセトアミド}-3-ヒドロキシブタンアミド]-3-スルファニルプロパンアミド]-3-スルファニルプロパノイル]ピロリジン-2-イル]ホルムアミド}-3-カルボキシプロパンアミド]-3-ヒドロキシブタノイル]ピロリジン-2-イル]ホルムアミド}-3-(4-ヒドロキシフェニル)プロパンアミド]-4-メチルペンタンアミド]ブタン二酸
  • (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2R)-2-[(2R)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]acetamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]butanedioic acid
Thsaurus map:

Return to Previous Page