Chem
J-GLOBAL ID:200907016556358528   Nikkaji number:J1.981.550A

L-His-L-Ser-L-Ala-L-Tyr-L-Ser-L-Asp-L-Thr-L-Arg-L-Arg-Gly-L-Asp-L-Tyr-Gly-NH2

L-His-L-Ser-L-Ala-L-Tyr-L-Ser-L-Asp-L-Thr-L-Arg-L-Arg-Gly-L-Asp-L-Tyr-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: C61H90N22O22
Molecular formula furigana: C61-H90-N22-O22
Molecular weight: 1483.523
InChI: InChI=1S/C61H90N22O22/c1-28(74-57(103)42(25-84)81-50(96)35(62)19-32-22-68-27-73-32)49(95)78-39(18-31-9-13-34(88)14-10-31)54(100)82-43(26-85)58(104)80-41(21-47(93)94)56(102)83-48(29(2)86)59(105)77-37(6-4-16-70-61(66)67)53(99)76-36(5-3-15-69-60(64)65)51(97)72-24-45(90)75-40(20-46(91)92)55(101)79-38(52(98)71-23-44(63)89)17-30-7-11-33(87)12-8-30/h7-14,22,27-29,35-43,48,84-88H,3-6,15-21,23-26,62H2,1-2H3,(H2,63,89)(H,68,73)(H,71,98)(H,72,97)(H,74,103)(H,75,90)(H,76,99)(H,77,105)(H,78,95)(H,79,101)(H,80,104)(H,81,96)(H,82,100)(H,83,102)(H,91,92)(H,93,94)(H4,64,65,69)(H4,66,67,70)/t28-,29+,35-,36-,37-,38-,39-,40-,41-,42-,43-,48-/m0/s1
InChI key: YGYNRORXVCYENB-SHPOOMLCSA-N
SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N
Systematic name  (3):
  • L-His-L-Ser-L-Ala-L-Tyr-L-Ser-L-Asp-L-Thr-L-Arg-L-Arg-Gly-L-Asp-L-Tyr-Gly-NH2
  • (3S)-3-{2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-(1H-イミダゾール-4-イル)プロパンアミド]-3-ヒドロキシプロパンアミド]プロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-3-ヒドロキシプロパンアミド]-3-カルボキシプロパンアミド]-3-ヒドロキシブタンアミド]-5-カルバムイミドアミドペンタンアミド]-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-{[(1S)-1-[(カルバモイルメチル)カルバモイル]-2-(4-ヒドロキシフェニル)エチル]カルバモイル}プロパン酸
  • (3S)-3-{2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]acetamido}-3-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
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