Chem
J-GLOBAL ID:200907020928456448
Nikkaji number:J366.145H
NSTX-3
NSTX-3
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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:
C30 H52 N10 O7
Molecular formula furigana:
C30-H52-N10-O7
Molecular weight:
664.809
InChI:
InChI=1S/C30H52N10O7/c31-22(7-6-15-39-30(33)34)28(46)37-14-5-4-11-35-16-10-26(44)36-12-2-1-3-13-38-29(47)23(19-25(32)43)40-27(45)17-20-8-9-21(41)18-24(20)42/h8-9,18,22-23,35,41-42H,1-7,10-17,19,31H2,(H2,32,43)(H,36,44)(H,37,46)(H,38,47)(H,40,45)(H4,33,34,39)
InChI key:
FWMLZLXWSGWYGY-UHFFFAOYSA-N
SMILES:
NC(CCCNC(=N)N)C(=O)NCCCCNCCC(=O)NCCCCCNC(=O)C(CC(=O)N)NC(=O)Cc1ccc(O)cc1O
Systematic name (4):
3-[[2-(2,4-ジヒドロキシフェニル)-1-オキソエチル]アミノ]-3-[(1,9,18-トリオキソ-19,24-ジアミノ-24-イミノ-2,8,12,17,23-ペンタアザテトラコサン)-1-イル]プロパンアミド
N-(17,22-ジアミノ-22-イミノ-7,16-ジオキソ-6,10,15,21-テトラアザドコサン-1-イル)-2-[[(2,4-ジヒドロキシフェニル)アセチル]アミノ]スクシンアミド
N-[5-(3-{[4-(2-アミノ-5-カルバムイミドアミドペンタンアミド)ブチル]アミノ}プロパンアミド)ペンチル]-2-[2-(2,4-ジヒドロキシフェニル)アセトアミド]ブタンジアミド
N-[5-(3-{[4-(2-amino-5-carbamimidamidopentanamido)butyl]amino}propanamido)pentyl]-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide
Other name (4):
NSTX-3
ネフィラスピンデルトキシン
Nephila Spinder toxin
N-(17,22-Diamino-22-imino-7,16-dioxo-6,10,15,21-tetraazadocosan-1-yl)-2-[[(2,4-dihydroxyphenyl)acetyl]amino]succinamide
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