Chem
J-GLOBAL ID:201207091328730945
Nikkaji number:J3.091.115F
N-[(3S,4S)-3-Hydroxy-4-[[N-[(2-pyridyl)carbonyl]-Val-]amino]-5-(4-bromobenzyloxy)pentanoyl]-Ala-Leu-NH2
N-[(3S,4S)-3-ヒドロキシ-4-[[N-[(2-ピリジル)カルボニル]-Val-]アミノ]-5-(4-ブロモベンジルオキシ)ペンタノイル]-Ala-Leu-NH2
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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:
C32 H45 BrN6 O7
Molecular formula furigana:
C32-H45-BR-N6-O7
Molecular weight:
705.651
InChI:
InChI=1S/C32H45BrN6O7/c1-18(2)14-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-11-22(33)12-10-21)38-32(45)28(19(3)4)39-31(44)23-8-6-7-13-35-23/h6-13,18-20,24-26,28,40H,14-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1
InChI key:
QXHNYZQKWOKULQ-QPGFMSSHSA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(=O)N
Systematic name (3):
N-[(3S,4S)-3-ヒドロキシ-4-[[N-[(2-ピリジル)カルボニル]-Val-]アミノ]-5-(4-ブロモベンジルオキシ)ペンタノイル]-Ala-Leu-NH2
(3S,4S)-5-[(4-ブロモフェニル)メトキシ]-N-[(1S)-1-{[(1S)-1-カルバモイル-3-メチルブチル]カルバモイル}エチル]-3-ヒドロキシ-4-[(2S)-3-メチル-2-[(ピリジン-2-イル)ホルムアミド]ブタンアミド]ペンタンアミド
(3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}ethyl]-3-hydroxy-4-[(2S)-3-methyl-2-[(pyridin-2-yl)formamido]butanamido]pentanamide
Other name (1):
N-[(3S,4S)-3-Hydroxy-4-[[N-[(2-pyridyl)carbonyl]-Val-]amino]-5-(4-bromobenzyloxy)pentanoyl]-Ala-Leu-NH2
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