Chem
J-GLOBAL ID:200907049063295409   Nikkaji number:J1.340.721E

N-Acetyl-Ala-Asn-Lys-Ile-Ser-Tyr-Gln-Ser-Gln-Ser-Thr-Glu-NH2

N-アセチル-Ala-Asn-Lys-Ile-Ser-Tyr-Gln-Ser-Gln-Ser-Thr-Glu-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: C58H93N17O23
Molecular formula furigana: C58-H93-N17-O23
Molecular weight: 1396.478
InChI: InChI=1S/C58H93N17O23/c1-6-26(2)45(74-51(91)33(9-7-8-20-59)66-53(93)37(22-43(62)84)69-48(88)27(3)64-29(5)80)57(97)73-39(24-77)55(95)70-36(21-30-10-12-31(81)13-11-30)52(92)67-34(14-17-41(60)82)49(89)71-38(23-76)54(94)68-35(15-18-42(61)83)50(90)72-40(25-78)56(96)75-46(28(4)79)58(98)65-32(47(63)87)16-19-44(85)86/h10-13,26-28,32-40,45-46,76-79,81H,6-9,14-25,59H2,1-5H3,(H2,60,82)(H2,61,83)(H2,62,84)(H2,63,87)(H,64,80)(H,65,98)(H,66,93)(H,67,92)(H,68,94)(H,69,88)(H,70,95)(H,71,89)(H,72,90)(H,73,97)(H,74,91)(H,75,96)(H,85,86)/t26-,27-,28+,32-,33-,34-,35-,36-,37-,38-,39-,40-,45-,46-/m0/s1
InChI key: DADUBGUQPUWRTM-XBECMGHDSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N
Systematic name  (3):
  • N-アセチル-Ala-Asn-Lys-Ile-Ser-Tyr-Gln-Ser-Gln-Ser-Thr-Glu-NH2
  • (4S)-4-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-アミノ-2-[(2S)-3-カルバモイル-2-[(2S)-2-アセトアミドプロパンアミド]プロパンアミド]ヘキサンアミド]-3-メチルペンタンアミド]-3-ヒドロキシプロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-4-カルバモイルブタンアミド]-3-ヒドロキシプロパンアミド]-4-カルバモイルブタンアミド]-3-ヒドロキシプロパンアミド]-3-ヒドロキシブタンアミド]-4-カルバモイルブタン酸
  • (4S)-4-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-3-carbamoyl-2-[(2S)-2-acetamidopropanamido]propanamido]hexanamido]-3-methylpentanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid
Other name (1):
  • N-Acetyl-Ala-Asn-Lys-Ile-Ser-Tyr-Gln-Ser-Gln-Ser-Thr-Glu-NH2
Thsaurus map:

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