Chem
J-GLOBAL ID：200907038497789858
Nikkaji number：J2.124.618B
(6R,13R,20R)-N-[(1S)-1-(Methoxycarbonyl)-5-aminopentyl]-2,6,9,13,16,20-hexamethyl-3,21:10,7:17,14-triepinitrilo-4,11,18-trioxo-13-[(cyclohexylmethyl)carbamoyl]-20-[(9H-fluorene-9-yl)carbamoyl]-1,8,15-trioxa-5,12,19-triazacyclohenicosane-2,9,16-triene-6-carboxamide
(6R,13R,20R)-N-[(1S)-1-(メトキシカルボニル)-5-アミノペンチル]-2,6,9,13,16,20-ヘキサメチル-3,21:10,7:17,14-トリエピニトリロ-4,11,18-トリオキソ-13-[(シクロヘキシルメチル)カルバモイル]-20-[(9H-フルオレン-9-イル)カルバモイル]-1,8,15-トリオキサ-5,12,19-トリアザシクロヘニコサン-2,9,16-トリエン-6-カルボアミド
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： C51H60N10O11
Molecular formula furigana： C51-H60-N10-O11
Molecular weight： 989.100
InChI：
InChI=1S/C51H60N10O11/c1-26-36-41(64)61-51(6,45(68)55-38-32-21-13-11-19-30(32)31-20-12-14-22-33(31)38)48-58-37(28(3)72-48)40(63)60-50(5,44(67)54-34(42(65)69-7)23-15-16-24-52)47-57-35(27(2)71-47)39(62)59-49(4,46(56-36)70-26)43(66)53-25-29-17-9-8-10-18-29/h11-14,19-22,29,34,38H,8-10,15-18,23-25,52H2,1-7H3,(H,53,66)(H,54,67)(H,55,68)(H,59,62)(H,60,63)(H,61,64)/t34-,49-,50-,51-/m0/s1
InChI key：
DOHGPSDHRIKTDB-KBAHWNQNSA-N
SMILES：
COC(=O)[C@H](CCCCN)NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc1oc2C)C(=O)NCC1CCCCC1)C(=O)NC1c2ccccc2c2ccccc12
Systematic name (3)：
- (6R,13R,20R)-N-[(1S)-1-(メトキシカルボニル)-5-アミノペンチル]-2,6,9,13,16,20-ヘキサメチル-3,21:10,7:17,14-トリエピニトリロ-4,11,18-トリオキソ-13-[(シクロヘキシルメチル)カルバモイル]-20-[(9H-フルオレン-9-イル)カルバモイル]-1,8,15-トリオキサ-5,12,19-トリアザシクロヘニコサン-2,9,16-トリエン-6-カルボアミド
- メチル (2S)-6-アミノ-2-{[(4R,11R,18R)-11-[(シクロヘキシルメチル)カルバモイル]-18-[(9H-フルオレン-9-イル)カルバモイル]-4,7,11,14,18,21-ヘキサメチル-2,9,16-トリオキソ-6,13,20-トリオキサ-3,10,17,22,23,24-ヘキサアザテトラシクロ[17.2.1.15,8.112,15]テトラコサ-1(21),5(24),7,12(23),14,19(22)-ヘキサエン-4-イル]ホルムアミド}ヘキサノアート
- methyl (2S)-6-amino-2-{[(4R,11R,18R)-11-[(cyclohexylmethyl)carbamoyl]-18-[(9H-fluoren-9-yl)carbamoyl]-4,7,11,14,18,21-hexamethyl-2,9,16-trioxo-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaen-4-yl]formamido}hexanoate
- (6R,13R,20R)-N-[(1S)-1-(Methoxycarbonyl)-5-aminopentyl]-2,6,9,13,16,20-hexamethyl-3,21:10,7:17,14-triepinitrilo-4,11,18-trioxo-13-[(cyclohexylmethyl)carbamoyl]-20-[(9H-fluorene-9-yl)carbamoyl]-1,8,15-trioxa-5,12,19-triazacyclohenicosane-2,9,16-triene-6-carboxamide
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