Chem
J-GLOBAL ID:201707017759434474
Nikkaji number:J3.611.632C
(2S)-2-[[[(4S)-4-Carboxy-4-[[(4S)-4-carboxy-4-[[6-[(4-fluorobenzoyl)amino]hexanoyl]amino]butyryl]amino]butoxy](hydroxy)phosphinyl]amino]pentanedioic acid
(2S)-2-({[(4S)-4-カルボキシ-4-[(4S)-4-カルボキシ-4-{6-[(4-フルオロフェニル)ホルムアミド]ヘキサンアミド}ブタンアミド]ブトキシ](ヒドロキシ)ホスホリル}アミノ)ペンタン二酸
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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:
C28 H40 FN4 O14 P
Molecular formula furigana:
C28-H40-F-N4-O14-P
Molecular weight:
706.614
InChI:
InChI=1S/C28H40FN4O14P/c29-18-9-7-17(8-10-18)25(38)30-15-3-1-2-6-22(34)32-20(27(41)42)11-13-23(35)31-19(26(39)40)5-4-16-47-48(45,46)33-21(28(43)44)12-14-24(36)37/h7-10,19-21H,1-6,11-16H2,(H,30,38)(H,31,35)(H,32,34)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,33,45,46)/t19-,20-,21-/m0/s1
InChI key:
IZLOSIXADNUSCM-ACRUOGEOSA-N
SMILES:
OC(=O)CC[C@H](NP(=O)(O)OCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCNC(=O)c1ccc(F)cc1)C(=O)O)C(=O)O)C(=O)O
Systematic name (3):
(2S)-2-[[[(4S)-4-カルボキシ-4-[[(4S)-4-カルボキシ-4-[[6-[(4-フルオロベンゾイル)アミノ]ヘキサノイル]アミノ]ブチリル]アミノ]ブトキシ](ヒドロキシ)ホスフィニル]アミノ]ペンタン二酸
(2S)-2-({[(4S)-4-カルボキシ-4-[(4S)-4-カルボキシ-4-{6-[(4-フルオロフェニル)ホルムアミド]ヘキサンアミド}ブタンアミド]ブトキシ](ヒドロキシ)ホスホリル}アミノ)ペンタン二酸
(2S)-2-({[(4S)-4-carboxy-4-[(4S)-4-carboxy-4-{6-[(4-fluorophenyl)formamido]hexanamido}butanamido]butoxy](hydroxy)phosphoryl}amino)pentanedioic acid
Other name (1):
(2S)-2-[[[(4S)-4-Carboxy-4-[[(4S)-4-carboxy-4-[[6-[(4-fluorobenzoyl)amino]hexanoyl]amino]butyryl]amino]butoxy](hydroxy)phosphinyl]amino]pentanedioic acid
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