Chem
J-GLOBAL ID:200907002279031884
Nikkaji number:J971.815J
4-Chloro-L-Abu-L-Leu-Gly-L-Val-L-Leu-Gly-L-Lys-L-Leu-L-Cys-NH2
4-クロロ-L-Abu-L-Leu-Gly-L-Val-L-Leu-Gly-L-Lys-L-Leu-L-Cys-NH2
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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:
C40 H74 ClN11 O9 S
Molecular formula furigana:
C40-H74-CL-N11-O9-S
Molecular weight:
920.610
InChI:
InChI=1S/C40H74ClN11O9S/c1-21(2)15-27(48-35(56)25(43)12-13-41)36(57)46-19-32(54)52-33(24(7)8)40(61)50-28(16-22(3)4)37(58)45-18-31(53)47-26(11-9-10-14-42)38(59)49-29(17-23(5)6)39(60)51-30(20-62)34(44)55/h21-30,33,62H,9-20,42-43H2,1-8H3,(H2,44,55)(H,45,58)(H,46,57)(H,47,53)(H,48,56)(H,49,59)(H,50,61)(H,51,60)(H,52,54)/t25-,26-,27-,28-,29-,30-,33-/m0/s1
InChI key:
UZMOBBUZCBWYDX-ODPDCLKQSA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](N)CCCl)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N
Systematic name (3):
4-クロロ-L-Abu-L-Leu-Gly-L-Val-L-Leu-Gly-L-Lys-L-Leu-L-Cys-NH2
(2S)-6-アミノ-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-アミノ-4-クロロブタンアミド]-4-メチルペンタンアミド]アセトアミド}-3-メチルブタンアミド]-4-メチルペンタンアミド]アセトアミド}-N-[(1S)-1-{[(1R)-1-カルバモイル-2-スルファニルエチル]カルバモイル}-3-メチルブチル]ヘキサンアミド
(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-chlorobutanamido]-4-methylpentanamido]acetamido}-3-methylbutanamido]-4-methylpentanamido]acetamido}-N-[(1S)-1-{[(1R)-1-carbamoyl-2-sulfanylethyl]carbamoyl}-3-methylbutyl]hexanamide
Other name (1):
4-Chloro-L-Abu-L-Leu-Gly-L-Val-L-Leu-Gly-L-Lys-L-Leu-L-Cys-NH2
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