Chem
J-GLOBAL ID:200907048902802722   Nikkaji number:J1.010.391F

(6S,9S,12S,15S)-6-[(tert-Butoxycarbonyl)amino]-9,12-dibenzyl-15-carbamoyl-1,8,11,14,20-pentaazacyclopentacosane-7,10,13,21,25-pentone

tert-ブチル N-[(2S,5S,8S,24S)-2,5-ジベンジル-8-カルバモイル-3,6,14,18,25-ペンタオキソ-1,4,7,13,19-ペンタアザシクロペンタコサン-24-イル]カルバマート
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: C40H57N7O8
Molecular formula furigana: C40-H57-N7-O8
Molecular weight: 763.937
InChI: InChI=1S/C40H57N7O8/c1-40(2,3)55-39(54)47-30-20-11-13-24-43-34(49)22-14-21-33(48)42-23-12-10-19-29(35(41)50)44-37(52)31(25-27-15-6-4-7-16-27)46-38(53)32(45-36(30)51)26-28-17-8-5-9-18-28/h4-9,15-18,29-32H,10-14,19-26H2,1-3H3,(H2,41,50)(H,42,48)(H,43,49)(H,44,52)(H,45,51)(H,46,53)(H,47,54)/t29?,30?,31-,32?/m0/s1
InChI key: RXBHTOMHTFZTSQ-UHKXVHSYSA-N
SMILES: CC(C)(C)OC(=O)NC1CCCCNC(=O)CCCC(=O)NCCCCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC1=O)C(=O)N
Systematic name  (3):
  • (6S,9S,12S,15S)-6-[(tert-ブトキシカルボニル)アミノ]-9,12-ジベンジル-15-カルバモイル-1,8,11,14,20-ペンタアザシクロペンタコサン-7,10,13,21,25-ペンタオン
  • tert-ブチル N-[(2S,5S,8S,24S)-2,5-ジベンジル-8-カルバモイル-3,6,14,18,25-ペンタオキソ-1,4,7,13,19-ペンタアザシクロペンタコサン-24-イル]カルバマート
  • tert-butyl N-[(2S,5S,8S,24S)-2,5-dibenzyl-8-carbamoyl-3,6,14,18,25-pentaoxo-1,4,7,13,19-pentaazacyclopentacosan-24-yl]carbamate
Other name (1):
  • (6S,9S,12S,15S)-6-[(tert-Butoxycarbonyl)amino]-9,12-dibenzyl-15-carbamoyl-1,8,11,14,20-pentaazacyclopentacosane-7,10,13,21,25-pentone
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