Chem
J-GLOBAL ID:200907047653822045   Nikkaji number:J2.527.260I

IMP-3-508

L-Lys-L-Thr-L-Val-L-Asn-L-Glu-L-Leu-L-Gln-L-Asn-L-Leu-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: C45H79N13O16
Molecular formula furigana: C45-H79-N13-O16
Molecular weight: 1058.202
InChI: InChI=1S/C45H79N13O16/c1-20(2)16-27(40(68)51-25(11-13-31(48)60)38(66)54-28(18-32(49)61)42(70)56-30(45(73)74)17-21(3)4)53-39(67)26(12-14-34(63)64)52-41(69)29(19-33(50)62)55-43(71)35(22(5)6)57-44(72)36(23(7)59)58-37(65)24(47)10-8-9-15-46/h20-30,35-36,59H,8-19,46-47H2,1-7H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,68)(H,52,69)(H,53,67)(H,54,66)(H,55,71)(H,56,70)(H,57,72)(H,58,65)(H,63,64)(H,73,74)/t23-,24+,25+,26+,27+,28+,29+,30+,35+,36+/m1/s1
InChI key: ZWMQPLOHUFKNPF-RQEVSVBXSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(C)C)C(=O)O
Systematic name  (3):
  • L-Lys-L-Thr-L-Val-L-Asn-L-Glu-L-Leu-L-Gln-L-Asn-L-Leu-OH
  • (2S)-2-[(2S)-3-カルバモイル-2-[(2S)-4-カルバモイル-2-[(2S)-2-[(2S)-2-[(2S)-3-カルバモイル-2-[(2S)-2-[(2S,3R)-2-[(2S)-2,6-ジアミノヘキサンアミド]-3-ヒドロキシブタンアミド]-3-メチルブタンアミド]プロパンアミド]-4-カルボキシブタンアミド]-4-メチルペンタンアミド]ブタンアミド]プロパンアミド]-4-メチルペンタン酸
  • (2S)-2-[(2S)-3-carbamoyl-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]-3-methylbutanamido]propanamido]-4-carboxybutanamido]-4-methylpentanamido]butanamido]propanamido]-4-methylpentanoic acid
Other name (1):
  • IMP-3-508
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