Chem
J-GLOBAL ID：200907078859736440
Nikkaji number：J2.447.418F
Cbz-L-Leu-L-Leu-[[(3S)-1-Amino*-3α,4β-dimethoxycyclohexyl]carbonyl]-L-Leu-L-Leu-[[(3S)-1-amino*-3α,4β-dimethoxycyclohexyl]carbonyl]-OMe
Cbz-L-Leu-L-Leu-[[(3S)-1-アミノ*-3α,4β-ジメトキシシクロヘキシル]カルボニル]-L-Leu-L-Leu-[[(3S)-1-アミノ*-3α,4β-ジメトキシシクロヘキシル]カルボニル]-OMe
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： C51H84N6O13
Molecular formula furigana： C51-H84-N6-O13
Molecular weight： 989.262
InChI：
InChI=1S/C51H84N6O13/c1-30(2)23-35(43(58)52-38(26-33(7)8)46(61)57-51(48(63)69-13)22-20-40(66-10)42(28-51)68-12)54-47(62)50(21-19-39(65-9)41(27-50)67-11)56-45(60)37(25-32(5)6)53-44(59)36(24-31(3)4)55-49(64)70-29-34-17-15-14-16-18-34/h14-18,30-33,35-42H,19-29H2,1-13H3,(H,52,58)(H,53,59)(H,54,62)(H,55,64)(H,56,60)(H,57,61)/t35-,36-,37-,38-,39-,40-,41-,42-,50?,51?/m0/s1
InChI key：
JIURYBYSIFHEGZ-ZPQMSJSOSA-N
SMILES：
CO[C@H]1CCC(C[C@@H]1OC)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC1(CC[C@H](OC)[C@H](C1)OC)C(=O)OC
Systematic name (3)：
- Cbz-L-Leu-L-Leu-[[(3S)-1-アミノ*-3α,4β-ジメトキシシクロヘキシル]カルボニル]-L-Leu-L-Leu-[[(3S)-1-アミノ*-3α,4β-ジメトキシシクロヘキシル]カルボニル]-OMe
- メチル (3S,4S)-1-[(2S)-2-[(2S)-2-{[(3S,4S)-1-[(2S)-2-[(2S)-2-{[(ベンジルオキシ)カルボニル]アミノ}-4-メチルペンタンアミド]-4-メチルペンタンアミド]-3,4-ジメトキシシクロヘキシル]ホルムアミド}-4-メチルペンタンアミド]-4-メチルペンタンアミド]-3,4-ジメトキシシクロヘキサン-1-カルボキシラート
- methyl (3S,4S)-1-[(2S)-2-[(2S)-2-{[(3S,4S)-1-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido]-4-methylpentanamido]-3,4-dimethoxycyclohexyl]formamido}-4-methylpentanamido]-4-methylpentanamido]-3,4-dimethoxycyclohexane-1-carboxylate
- Cbz-L-Leu-L-Leu-[[(3S)-1-Amino*-3α,4β-dimethoxycyclohexyl]carbonyl]-L-Leu-L-Leu-[[(3S)-1-amino*-3α,4β-dimethoxycyclohexyl]carbonyl]-OMe
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