Chem
J-GLOBAL ID：201507044694972556
Nikkaji number：J3.370.241H
N,N′-(Hexane-1,6-diyl)bis(N-methyl-D-Ala-2-cyclohexyl-D-Gly-D-Pro-2-benzhydryl-D-Gly-NH2)
N,N′-(ヘキサン-1,6-ジイル)ビス(N-メチル-D-Ala-2-シクロヘキシル-D-Gly-D-Pro-2-ベンズヒドリル-D-Gly-NH2)
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
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
Molecular formula： C70H96N10O8
Molecular formula furigana： C70-H96-N10-O8
Molecular weight： 1205.600
InChI：
InChI=1S/C70H96N10O8/c1-47(71-3)63(81)75-59(53-37-21-11-22-38-53)69(87)79-45-27-41-55(79)65(83)77-61(57(49-29-13-7-14-30-49)50-31-15-8-16-32-50)67(85)73-43-25-5-6-26-44-74-68(86)62(58(51-33-17-9-18-34-51)52-35-19-10-20-36-52)78-66(84)56-42-28-46-80(56)70(88)60(54-39-23-12-24-40-54)76-64(82)48(2)72-4/h7-10,13-20,29-36,47-48,53-62,71-72H,5-6,11-12,21-28,37-46H2,1-4H3,(H,73,85)(H,74,86)(H,75,81)(H,76,82)(H,77,83)(H,78,84)/t47-,48-,55-,56-,59-,60-,61-,62-/m1/s1
InChI key：
DPXJXGNXKOVBJV-RSFCGEICSA-N
SMILES：
CN[C@H](C)C(=O)N[C@H](C1CCCCC1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](C)NC)C1CCCCC1)C(c1ccccc1)c1ccccc1
Systematic name (3)：
- N,N′-(ヘキサン-1,6-ジイル)ビス(N-メチル-D-Ala-2-シクロヘキシル-D-Gly-D-Pro-2-ベンズヒドリル-D-Gly-NH2)
- (2R)-2-{[(2R)-1-[(2R)-2-シクロヘキシル-2-[(2R)-2-(メチルアミノ)プロパンアミド]アセチル]ピロリジン-2-イル]ホルムアミド}-N-{6-[(2R)-2-{[(2R)-1-[(2R)-2-シクロヘキシル-2-[(2R)-2-(メチルアミノ)プロパンアミド]アセチル]ピロリジン-2-イル]ホルムアミド}-3,3-ジフェニルプロパンアミド]ヘキシル}-3,3-ジフェニルプロパンアミド
- (2R)-2-{[(2R)-1-[(2R)-2-cyclohexyl-2-[(2R)-2-(methylamino)propanamido]acetyl]pyrrolidin-2-yl]formamido}-N-{6-[(2R)-2-{[(2R)-1-[(2R)-2-cyclohexyl-2-[(2R)-2-(methylamino)propanamido]acetyl]pyrrolidin-2-yl]formamido}-3,3-diphenylpropanamido]hexyl}-3,3-diphenylpropanamide
- N,N′-(Hexane-1,6-diyl)bis(N-methyl-D-Ala-2-cyclohexyl-D-Gly-D-Pro-2-benzhydryl-D-Gly-NH2)
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